 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104147/Gau-2784.inp" -scrdir="/scratch/9104147/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2785.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer09_wB97XD_def2SVPD
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer09_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Pol
 ar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H(Iso=2)              1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H(Iso=2)             -0.24997  -0.91551   1.96107 
 H                     1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           2           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   2.0141018   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           2           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.8574380   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           2           1
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   2.0141018   1.0078250
 NucSpn=           2           1           1           1           2           2           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000   0.0000000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   0.8574380   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.8800948           3.8223536           3.7673546
 Leave Link  202 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               0.0 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   206 symmetry adapted cartesian basis functions of A   symmetry.
 There are   196 symmetry adapted basis functions of A   symmetry.
   196 basis functions,   280 primitive gaussians,   206 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0103222736 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5839790889 Hartrees.
 Leave Link  301 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   196 RedAO= T EigKep=  1.86D-05  NBF=   196
 NBsUse=   196 1.00D-06 EigRej= -1.00D+00 NBFU=   196
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   206   206   206   206   206 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:49:46 2022, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:49:46 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer09_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:49:46 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368620381 LenY=  5368577504
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.581414707950    
 DIIS: error= 8.38D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.581414707950     IErMin= 1 ErrMin= 8.38D-03
 ErrMax= 8.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-03 BMatP= 4.48D-03
 IDIUse=3 WtCom= 9.16D-01 WtEn= 8.38D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.500 Goal=   None    Shift=    0.000
 GapD=    0.500 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.37D-03 MaxDP=2.60D-01              OVMax= 1.11D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.35D-03    CP:  1.02D+00
 E= -197.585275594392     Delta-E=       -0.003860886441 Rises=F Damp=F
 DIIS: error= 6.83D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.585275594392     IErMin= 2 ErrMin= 6.83D-04
 ErrMax= 6.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.57D-05 BMatP= 4.48D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.83D-03
 Coeff-Com: -0.613D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.609D-01 0.106D+01
 Gap=     0.486 Goal=   None    Shift=    0.000
 RMSDP=7.09D-04 MaxDP=6.35D-02 DE=-3.86D-03 OVMax= 4.14D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.61D-04    CP:  1.03D+00  1.10D+00
 E= -197.585400116234     Delta-E=       -0.000124521843 Rises=F Damp=F
 DIIS: error= 3.70D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.585400116234     IErMin= 3 ErrMin= 3.70D-04
 ErrMax= 3.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-05 BMatP= 6.57D-05
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.70D-03
 Coeff-Com: -0.350D-01 0.342D+00 0.693D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.349D-01 0.341D+00 0.694D+00
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=8.27D-05 MaxDP=8.01D-03 DE=-1.25D-04 OVMax= 7.78D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.68D-05    CP:  1.03D+00  1.10D+00  9.96D-01
 E= -197.585418472693     Delta-E=       -0.000018356459 Rises=F Damp=F
 DIIS: error= 9.66D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.585418472693     IErMin= 4 ErrMin= 9.66D-05
 ErrMax= 9.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.39D-07 BMatP= 1.89D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.941D-03-0.626D-01 0.118D+00 0.943D+00
 Coeff:      0.941D-03-0.626D-01 0.118D+00 0.943D+00
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=1.96D-05 MaxDP=7.48D-04 DE=-1.84D-05 OVMax= 4.46D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  1.03D+00  1.10D+00  1.02D+00  1.01D+00
 E= -197.585419947333     Delta-E=       -0.000001474640 Rises=F Damp=F
 DIIS: error= 2.20D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.585419947333     IErMin= 5 ErrMin= 2.20D-05
 ErrMax= 2.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-08 BMatP= 9.39D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-02-0.283D-01 0.974D-02 0.285D+00 0.733D+00
 Coeff:      0.117D-02-0.283D-01 0.974D-02 0.285D+00 0.733D+00
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=5.00D-06 MaxDP=1.41D-04 DE=-1.47D-06 OVMax= 7.53D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.00D-06    CP:  1.03D+00  1.10D+00  1.03D+00  1.04D+00  1.03D+00
 E= -197.585420024082     Delta-E=       -0.000000076749 Rises=F Damp=F
 DIIS: error= 7.41D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.585420024082     IErMin= 6 ErrMin= 7.41D-06
 ErrMax= 7.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.84D-09 BMatP= 7.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.356D-03-0.481D-02-0.740D-02 0.239D-01 0.264D+00 0.724D+00
 Coeff:      0.356D-03-0.481D-02-0.740D-02 0.239D-01 0.264D+00 0.724D+00
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=2.52D-06 MaxDP=2.36D-04 DE=-7.67D-08 OVMax= 2.28D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.35D-06    CP:  1.03D+00  1.10D+00  1.03D+00  1.05D+00  1.12D+00
                    CP:  1.00D+00
 E= -197.585420032052     Delta-E=       -0.000000007970 Rises=F Damp=F
 DIIS: error= 5.38D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.585420032052     IErMin= 7 ErrMin= 5.38D-07
 ErrMax= 5.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.00D-11 BMatP= 7.84D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.763D-04 0.181D-02-0.774D-03-0.172D-01-0.452D-01-0.383D-01
 Coeff-Com:  0.110D+01
 Coeff:     -0.763D-04 0.181D-02-0.774D-03-0.172D-01-0.452D-01-0.383D-01
 Coeff:      0.110D+01
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=6.61D-07 MaxDP=2.72D-05 DE=-7.97D-09 OVMax= 6.78D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.02D-07    CP:  1.03D+00  1.10D+00  1.02D+00  1.05D+00  1.13D+00
                    CP:  1.08D+00  1.13D+00
 E= -197.585420032262     Delta-E=       -0.000000000210 Rises=F Damp=F
 DIIS: error= 8.76D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.585420032262     IErMin= 8 ErrMin= 8.76D-08
 ErrMax= 8.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.91D-13 BMatP= 7.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.671D-05-0.224D-03 0.110D-03 0.257D-02 0.549D-02-0.264D-02
 Coeff-Com: -0.211D+00 0.121D+01
 Coeff:      0.671D-05-0.224D-03 0.110D-03 0.257D-02 0.549D-02-0.264D-02
 Coeff:     -0.211D+00 0.121D+01
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=1.14D-07 MaxDP=1.50D-05 DE=-2.10D-10 OVMax= 7.99D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.14D-08    CP:  1.03D+00  1.10D+00  1.02D+00  1.05D+00  1.13D+00
                    CP:  1.09D+00  1.14D+00  1.21D+00
 E= -197.585420032265     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 8.33D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -197.585420032265     IErMin= 9 ErrMin= 8.33D-09
 ErrMax= 8.33D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-15 BMatP= 9.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.600D-06 0.262D-04-0.966D-05-0.331D-03-0.501D-03 0.668D-03
 Coeff-Com:  0.278D-01-0.200D+00 0.117D+01
 Coeff:     -0.600D-06 0.262D-04-0.966D-05-0.331D-03-0.501D-03 0.668D-03
 Coeff:      0.278D-01-0.200D+00 0.117D+01
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=9.86D-09 MaxDP=1.40D-06 DE=-3.58D-12 OVMax= 4.02D-08

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.36D-09    CP:  1.03D+00  1.10D+00  1.02D+00  1.05D+00  1.13D+00
                    CP:  1.09D+00  1.14D+00  1.21D+00  1.16D+00
 E= -197.585420032271     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 4.89D-10 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -197.585420032271     IErMin=10 ErrMin= 4.89D-10
 ErrMax= 4.89D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.68D-17 BMatP= 5.74D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.550D-08-0.105D-05-0.322D-06 0.161D-04 0.128D-04-0.612D-04
 Coeff-Com: -0.135D-02 0.122D-01-0.117D+00 0.111D+01
 Coeff:      0.550D-08-0.105D-05-0.322D-06 0.161D-04 0.128D-04-0.612D-04
 Coeff:     -0.135D-02 0.122D-01-0.117D+00 0.111D+01
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=7.53D-10 MaxDP=8.69D-08 DE=-5.91D-12 OVMax= 4.58D-09

 SCF Done:  E(RwB97XD) =  -197.585420032     A.U. after   10 cycles
            NFock= 10  Conv=0.75D-09     -V/T= 2.0134
 KE= 1.949647996031D+02 PE=-8.521722215430D+02 EE= 2.610380228188D+02
 Leave Link  502 at Thu Jan 27 11:50:09 2022, MaxMem=  5368709120 cpu:             182.5 elap:              22.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   196
 NBasis=   196 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    196 NOA=    21 NOB=    21 NVA=   175 NVB=   175

 **** Warning!!: The largest alpha MO coefficient is  0.11426408D+03

 Leave Link  801 at Thu Jan 27 11:50:09 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5144 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.12D-14 8.33D-09 XBig12= 1.00D+00 2.63D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.12D-14 8.33D-09 XBig12= 8.31D-02 7.33D-02.
     11 vectors produced by pass  2 Test12= 6.12D-14 8.33D-09 XBig12= 9.20D-03 2.07D-02.
     11 vectors produced by pass  3 Test12= 6.12D-14 8.33D-09 XBig12= 8.86D-04 9.62D-03.
     11 vectors produced by pass  4 Test12= 6.12D-14 8.33D-09 XBig12= 2.30D-05 1.89D-03.
     11 vectors produced by pass  5 Test12= 6.12D-14 8.33D-09 XBig12= 2.01D-07 1.55D-04.
     11 vectors produced by pass  6 Test12= 6.12D-14 8.33D-09 XBig12= 3.95D-09 1.65D-05.
     11 vectors produced by pass  7 Test12= 6.12D-14 8.33D-09 XBig12= 5.07D-11 1.67D-06.
      8 vectors produced by pass  8 Test12= 6.12D-14 8.33D-09 XBig12= 5.47D-13 1.57D-07.
      3 vectors produced by pass  9 Test12= 6.12D-14 8.33D-09 XBig12= 6.27D-15 1.35D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension    99 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.649487D+02
      2  0.235905D-02  0.649450D+02
      3  0.506812D-02  0.469326D-02  0.649621D+02
 Isotropic polarizability for W=    0.085645       64.95 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.417397D+00  0.173321D-01  0.148395D+01
      2   0.186798D+01 -0.116475D+01 -0.548984D+00
      3  -0.145059D+01  0.114742D+01 -0.934963D+00
      4   0.200851D-01  0.188846D+01  0.199837D+01
      5   0.149549D+01  0.200152D+01 -0.141901D+01
      6   0.200766D+01 -0.544616D+00  0.114837D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.236280D-02 -0.401566D-02 -0.294326D-02
      2   0.428217D-03 -0.158895D-02  0.130054D-01
      3  -0.582822D-02 -0.588203D-02 -0.782004D-03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.314638D-02  0.436814D-02 -0.943560D-03
      2  -0.115384D-01 -0.928686D-02  0.315727D-01
      3   0.275298D-02 -0.204818D-01  0.614048D-02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.398879D-03  0.000000D+00  0.241905D-02
      2   0.000000D+00 -0.153132D-02 -0.394471D-03
      3   0.241905D-02 -0.394471D-03  0.192205D-02
 OR G Eigenvalues:    -0.0020    -0.0015     0.0035  Iso=     0.0000
 Eigenvectors:
   (1)   0.757300  -0.412381  -0.506398
   (2)   0.382575   0.908567  -0.167756
   (3)   0.529276  -0.066694   0.845824
 w=    0.085645 a.u., Optical Rotation Beta=      0.0000 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =        0.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   19306 ScalPx= 1.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.92D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.02D-14 2.78D-09 XBig12= 1.00D+00 4.14D-01.
     30 vectors produced by pass  1 Test12= 1.02D-14 2.78D-09 XBig12= 9.48D-03 2.22D-02.
     30 vectors produced by pass  2 Test12= 1.02D-14 2.78D-09 XBig12= 1.87D-03 7.83D-03.
     30 vectors produced by pass  3 Test12= 1.02D-14 2.78D-09 XBig12= 2.08D-05 7.04D-04.
     30 vectors produced by pass  4 Test12= 1.02D-14 2.78D-09 XBig12= 3.18D-07 9.44D-05.
     30 vectors produced by pass  5 Test12= 1.02D-14 2.78D-09 XBig12= 3.11D-09 1.59D-05.
     30 vectors produced by pass  6 Test12= 1.02D-14 2.78D-09 XBig12= 9.37D-12 7.38D-07.
     22 vectors produced by pass  7 Test12= 1.02D-14 2.78D-09 XBig12= 4.67D-14 6.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   232 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 4.34D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 4.34D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.05D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.649487D+02  0.235905D-02  0.506812D-02
      2   0.235905D-02  0.649450D+02  0.469326D-02
      3   0.506812D-02  0.469326D-02  0.649621D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.236280D-02 -0.401566D-02 -0.294326D-02
      2   0.428217D-03 -0.158895D-02  0.130054D-01
      3  -0.582822D-02 -0.588203D-02 -0.782004D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.417397D+00  0.173321D-01  0.148395D+01
      2   0.186798D+01 -0.116475D+01 -0.548984D+00
      3  -0.145059D+01  0.114742D+01 -0.934963D+00
      4   0.200851D-01  0.188846D+01  0.199837D+01
      5   0.149549D+01  0.200152D+01 -0.141901D+01
      6   0.200766D+01 -0.544616D+00  0.114837D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.953669D+00  0.525820D-01  0.358441D+01  0.726781D-01  0.445929D+01
      2   0.525820D-01  0.445077D+01  0.475438D+01  0.445929D+01 -0.275284D+01
      3   0.358441D+01  0.475438D+01 -0.340249D+01  0.476760D+01 -0.134019D+01
                 6             7             8             9            10 
      1   0.476760D+01  0.352639D+01  0.477623D+01 -0.347303D+01 -0.711107D+00
      2  -0.134019D+01  0.477623D+01 -0.137093D+01  0.271604D+01 -0.665706D-01
      3   0.276793D+01 -0.347303D+01  0.271604D+01 -0.228969D+01 -0.259041D+01
                11            12            13            14            15 
      1  -0.665706D-01 -0.259041D+01  0.112313D+00 -0.432814D+01 -0.380444D+01
      2  -0.359291D+01 -0.381750D+01 -0.432814D+01  0.143402D+01  0.179676D+01
      3  -0.381750D+01  0.293545D+01 -0.380444D+01  0.179676D+01 -0.199895D+01
                16            17            18            19            20 
      1  -0.322026D+01 -0.378934D+01  0.221171D+01  0.217463D+01  0.256995D+00
      2  -0.378934D+01  0.116385D+01 -0.216701D+01  0.256995D+00 -0.367203D+01
      3   0.221171D+01 -0.216701D+01  0.309735D+01 -0.249892D+01 -0.400428D+01
                21            22            23            24            25 
      1  -0.249892D+01 -0.352189D+00 -0.300033D+01 -0.400313D+01 -0.289199D+01
      2  -0.400428D+01 -0.300033D+01  0.350600D+01  0.126624D+01 -0.395191D+01
      3   0.256907D+01 -0.400313D+01  0.126624D+01 -0.212358D+01  0.321423D+01
                26            27            28            29            30 
      1  -0.395191D+01  0.321423D+01  0.199376D+01 -0.797970D+00 -0.292228D+01
      2   0.801781D+00 -0.147776D+01 -0.797970D+00 -0.388041D+01 -0.381831D+01
      3  -0.147776D+01  0.291748D+01 -0.292228D+01 -0.381831D+01  0.273392D+01
                31            32            33            34            35 
      1   0.195676D-01 -0.342389D+01 -0.382417D+01 -0.262086D+01 -0.382110D+01
      2  -0.342389D+01  0.724874D+00  0.105460D+01 -0.382110D+01  0.133240D+01
      3  -0.382417D+01  0.105460D+01 -0.228649D+01  0.317779D+01 -0.307348D+01
                36            37            38            39            40 
      1   0.317779D+01 -0.305388D+00  0.442466D+00 -0.360513D+01 -0.103079D-01
      2  -0.307348D+01  0.442466D+00 -0.337413D+01 -0.388393D+01 -0.371231D+01
      3   0.972010D+00 -0.360513D+01 -0.388393D+01  0.296313D+01 -0.390458D+01
                41            42            43            44            45 
      1  -0.371231D+01 -0.390458D+01 -0.273396D+01 -0.386776D+01  0.264880D+01
      2   0.327382D+01  0.249023D+00 -0.386776D+01  0.104980D+01 -0.209558D+01
      3   0.249023D+00 -0.257517D+01  0.264880D+01 -0.209558D+01  0.382408D+00
                46            47            48            49            50 
      1  -0.765702D+00  0.432453D+00 -0.599098D+00  0.723672D+00  0.250382D+00
      2   0.432453D+00 -0.525100D+00  0.971439D+00  0.250382D+00  0.185531D+01
      3  -0.599098D+00  0.971439D+00 -0.213067D+01  0.343390D+00 -0.205997D+01
                51            52            53            54            55 
      1   0.343390D+00 -0.104907D+01  0.382927D+00 -0.338049D+00  0.317355D+01
      2  -0.205997D+01  0.382927D+00 -0.205930D+01  0.249238D+01 -0.180046D+01
      3   0.278013D+01 -0.338049D+00  0.249238D+01 -0.696616D+01 -0.101686D+01
                56            57            58            59            60 
      1  -0.180046D+01 -0.101686D+01 -0.322956D+01  0.271963D+01  0.172463D+01
      2   0.210035D+01  0.103381D+01  0.271963D+01 -0.442290D+01 -0.166370D+01
      3   0.103381D+01  0.881497D+00  0.172463D+01 -0.166370D+01 -0.192115D+01
                61            62            63            64            65 
      1  -0.700379D+00  0.958937D+00  0.903804D+00  0.492517D+01  0.237156D+01
      2   0.958937D+00 -0.109775D+01 -0.917079D+00  0.237156D+01  0.241388D+01
      3   0.903804D+00 -0.917079D+00 -0.168137D+01  0.838338D+00  0.700030D+00
                66            67            68            69            70 
      1   0.838338D+00  0.304024D+01  0.275383D+01  0.639917D+00  0.242109D+01
      2   0.700030D+00  0.275383D+01  0.305685D+01  0.374050D+00  0.135344D+01
      3   0.833591D+00  0.639917D+00  0.374050D+00  0.121656D+01  0.750880D+00
                71            72            73            74            75 
      1   0.135344D+01  0.750880D+00 -0.225497D+01  0.324614D+00 -0.160457D+01
      2   0.127069D+01  0.951896D+00  0.324614D+00 -0.270739D+00  0.636577D+00
      3   0.951896D+00  0.967085D+00 -0.160457D+01  0.636577D+00 -0.220421D+01
                76            77            78            79            80 
      1   0.135053D+01 -0.301515D+00  0.134459D+01 -0.216528D+01  0.563502D+00
      2  -0.301515D+00  0.895322D+00 -0.115039D+01  0.563502D+00 -0.143826D+01
      3   0.134459D+01 -0.115039D+01  0.233860D+01 -0.283999D+01  0.874455D+00
                81            82            83            84            85 
      1  -0.283999D+01 -0.606741D+01 -0.188820D+01  0.187538D+01 -0.121722D+01
      2   0.874455D+00 -0.188820D+01 -0.139890D+01  0.830900D+00 -0.106422D+01
      3  -0.632496D+01  0.187538D+01  0.830900D+00 -0.190011D+01  0.772836D+00
                86            87            88            89            90 
      1  -0.106422D+01  0.772836D+00  0.343669D+01  0.147405D+01 -0.196755D+01
      2  -0.150925D+01  0.476489D+00  0.147405D+01  0.136761D+01 -0.572573D+00
      3   0.476489D+00 -0.308379D+00 -0.196755D+01 -0.572573D+00  0.190084D+01
                91            92            93            94            95 
      1   0.110499D+01 -0.115475D+01 -0.191368D+00 -0.142002D+01  0.112322D+01
      2  -0.115475D+01  0.294887D+01  0.117931D+01  0.112322D+01 -0.732469D+01
      3  -0.191368D+00  0.117931D+01  0.814712D+00  0.530379D+00 -0.212657D+01
                96            97            98            99           100 
      1   0.530379D+00 -0.169874D+00  0.567625D+00  0.306168D-01 -0.199307D+01
      2  -0.212657D+01  0.567625D+00 -0.165511D+01 -0.133519D+01  0.138107D+01
      3  -0.161006D+01  0.306168D-01 -0.133519D+01 -0.148923D+01 -0.962094D+00
               101           102           103           104           105 
      1   0.138107D+01 -0.962094D+00  0.113059D+01 -0.101594D+01  0.105686D+01
      2  -0.108952D+01  0.110301D+01 -0.101594D+01  0.300765D+01 -0.176460D+01
      3   0.110301D+01 -0.148963D+01  0.105686D+01 -0.176460D+01  0.181246D+01
               106           107           108           109           110 
      1  -0.185725D+01  0.175891D+01 -0.183461D+01  0.211024D+01  0.167669D+01
      2   0.175891D+01 -0.333441D+01  0.245939D+01  0.167669D+01  0.354876D+01
      3  -0.183461D+01  0.245939D+01 -0.405671D+01  0.123699D+01  0.160022D+01
               111           112           113           114           115 
      1   0.123699D+01  0.142132D+01  0.173411D+01  0.963621D+00  0.124225D+01
      2   0.160022D+01  0.173411D+01  0.473217D+01  0.176519D+01  0.996252D+00
      3   0.137198D+01  0.963621D+00  0.176519D+01  0.175835D+01  0.589627D+00
               116           117           118           119           120 
      1   0.996252D+00  0.589627D+00 -0.544686D+01  0.592190D+00  0.291255D+01
      2   0.219708D+01  0.203064D+01  0.592190D+00 -0.973157D+00  0.115283D-01
      3   0.203064D+01  0.202494D+01  0.291255D+01  0.115283D-01 -0.277198D+01
               121           122           123           124           125 
      1  -0.845581D+00 -0.336166D+00  0.700766D+00  0.317899D+01 -0.642110D-01
      2  -0.336166D+00 -0.391008D+00  0.414315D+00 -0.642110D-01  0.969055D+00
      3   0.700766D+00  0.414315D+00 -0.416531D+00 -0.272304D+01  0.594068D+00
               126           127           128           129           130 
      1  -0.272304D+01  0.239656D+01 -0.210234D+01  0.451438D+00 -0.236375D+01
      2   0.594068D+00 -0.210234D+01  0.284836D+01  0.141089D+00  0.293200D+01
      3   0.323433D+01  0.451438D+00  0.141089D+00  0.521404D+00  0.742135D-01
               131           132           133           134           135 
      1   0.293200D+01  0.742135D-01 -0.436697D+00  0.790599D+00  0.182478D+00
      2  -0.661598D+01  0.362746D+00  0.790599D+00 -0.121678D+01 -0.539727D+00
      3   0.362746D+00 -0.120727D+01  0.182478D+00 -0.539727D+00 -0.500974D+00
               136           137           138           139           140 
      1  -0.318069D+01 -0.923516D+00  0.252750D+01 -0.648291D+00 -0.451712D+00
      2  -0.923516D+00 -0.123497D+01  0.149292D+01 -0.451712D+00 -0.132302D+01
      3   0.252750D+01  0.149292D+01 -0.402702D+01  0.843967D+00  0.112493D+01
               141           142           143           144           145 
      1   0.843967D+00  0.205792D+01  0.877991D+00 -0.218729D+01  0.379998D+01
      2   0.112493D+01  0.877991D+00  0.109974D+01 -0.113457D+01  0.120317D+01
      3  -0.876995D+00 -0.218729D+01 -0.113457D+01  0.474266D+01  0.256412D+01
               146           147           148           149           150 
      1   0.120317D+01  0.256412D+01  0.221600D+01  0.166176D+01  0.177354D+01
      2   0.170088D+01  0.106880D+01  0.166176D+01  0.185368D+01  0.122106D+01
      3   0.106880D+01  0.230136D+01  0.177354D+01  0.122106D+01  0.265054D+01
               151           152           153 
      1   0.198229D+01  0.993855D+00  0.165362D+01
      2   0.993855D+00  0.920519D+00  0.119409D+01
      3   0.165362D+01  0.119409D+01  0.307000D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.920009D-02  0.127282D-02  0.604931D-02  0.117828D-01 -0.132035D-01
      2  -0.835468D-02  0.146852D-02  0.478289D+01  0.152343D-02  0.554566D-03
      3  -0.327089D-01 -0.478072D+01 -0.132355D-01  0.476829D+01 -0.223879D-01
                 6             7             8             9            10 
      1  -0.478687D+01  0.174923D-01  0.476465D+01 -0.265355D-02  0.107291D+01
      2   0.481403D-02 -0.476000D+01 -0.109823D-01  0.102388D-01 -0.617876D+01
      3  -0.120872D-01  0.465095D-02 -0.784124D-02 -0.634690D-02 -0.811850D+00
                11            12            13            14            15 
      1   0.607851D+01  0.334815D+01  0.751682D+01 -0.175560D+01 -0.391376D+01
      2  -0.560753D+01  0.307180D+01 -0.523939D+01 -0.238154D+01 -0.717163D+01
      3   0.377185D+01  0.454059D+01  0.909121D+01 -0.298178D+01 -0.514274D+01
                16            17            18            19            20 
      1   0.383252D+01  0.875991D+00  0.701815D+00 -0.296118D+01 -0.179629D+01
      2  -0.331926D+01 -0.759895D+01  0.852624D+01  0.579913D+01  0.557024D+01
      3   0.411380D+01 -0.364245D+01  0.377551D+01 -0.364720D+01 -0.669266D+01
                21            22            23            24            25 
      1   0.663305D+01 -0.272794D+01 -0.254662D+01 -0.512716D+01  0.782517D+01
      2  -0.332921D+01  0.469213D+01 -0.393280D+01 -0.133204D+01 -0.865751D+01
      3  -0.260897D+01 -0.755820D+00  0.894510D+01  0.666354D+01 -0.172515D+01
                26            27            28            29            30 
      1   0.183350D+00  0.551236D+01  0.409531D+01  0.421148D+01 -0.642534D+01
      2  -0.256971D+01 -0.192702D+01  0.109712D+01  0.415047D+01  0.587439D+00
      3   0.568472D+01 -0.525572D+01  0.391231D+01 -0.782245D+01 -0.824862D+01
                31            32            33            34            35 
      1   0.458314D+01 -0.211201D+01  0.303378D+01 -0.761826D+01  0.882323D+01
      2   0.349385D+01  0.664863D+00  0.419869D+01 -0.374335D+01  0.538271D+01
      3  -0.152317D+01 -0.618636D+01 -0.525383D+01 -0.748637D+01 -0.484671D+01
                36            37            38            39            40 
      1  -0.202306D+01 -0.219650D+01 -0.847147D+01 -0.356382D+01 -0.935067D+01
      2  -0.178442D+01 -0.735046D+00 -0.412514D+01  0.105484D+02 -0.300130D+01
      3   0.224038D+01  0.566976D+00 -0.218885D+00  0.632437D+01  0.420322D+01
                41            42            43            44            45 
      1   0.647481D+01 -0.488392D+01 -0.400955D+01  0.126719D+01 -0.424646D+01
      2   0.564079D+01  0.432068D+01  0.455690D+01  0.478095D+01 -0.484146D+01
      3   0.207449D+00  0.370863D+01  0.515030D+01  0.278067D+01 -0.774099D+00
                46            47            48            49            50 
      1  -0.301626D+00  0.905641D+00  0.130702D+00 -0.346088D+00 -0.215414D+01
      2  -0.266788D+01  0.161458D+01 -0.214278D+01  0.264559D+01 -0.232713D+01
      3  -0.136361D+01 -0.439512D-01 -0.131819D+01  0.144426D+01 -0.195907D+01
                51            52            53            54            55 
      1  -0.157079D+00 -0.378383D+00  0.395643D+01  0.708085D+00  0.238492D+01
      2   0.422031D+01 -0.491571D+01  0.400016D+01 -0.934519D+01  0.238903D+01
      3   0.266314D+01 -0.215356D+01  0.277646D+01 -0.362872D+01  0.257122D+01
                56            57            58            59            60 
      1  -0.356844D+01 -0.733604D+00 -0.327039D+01  0.653064D+01 -0.146059D-01
      2  -0.540606D+00  0.162401D+01 -0.196724D+01  0.840395D+00 -0.193326D+01
      3  -0.540854D+01 -0.183735D+01 -0.221599D+01  0.852376D+01  0.243629D+01
                61            62            63            64            65 
      1  -0.146661D+01  0.269272D+01  0.953611D+00 -0.301620D+01 -0.276910D+01
      2  -0.812064D+00  0.142680D-01 -0.150554D+01  0.591401D+01  0.384566D+01
      3  -0.134757D+01  0.253511D+01  0.145855D+01 -0.406872D+00 -0.455322D+01
                66            67            68            69            70 
      1  -0.236120D+01 -0.305356D+01 -0.291055D+01 -0.289719D+01 -0.155126D+01
      2   0.447408D+01  0.393356D+01  0.354990D+01  0.401539D+01  0.210037D+01
      3  -0.836685D+00 -0.722199D+00 -0.405026D+01 -0.482298D+00 -0.131893D+00
                71            72            73            74            75 
      1  -0.757745D+00 -0.218897D+01 -0.194475D+01  0.187900D+01 -0.309118D+01
      2   0.265785D+01  0.316218D+01 -0.755365D+00 -0.562326D+00  0.272085D+01
      3  -0.200339D+01 -0.111485D+01  0.231155D+01 -0.197821D+01  0.250196D+01
                76            77            78            79            80 
      1   0.131771D+01 -0.307015D+01  0.230329D+01 -0.340244D+01  0.523078D+01
      2   0.589034D+00  0.119152D+01 -0.203603D+01 -0.110310D+01 -0.877570D+00
      3  -0.426116D+00  0.200653D+01 -0.250541D+01  0.250939D+01 -0.366082D+01
                81            82            83            84            85 
      1  -0.703453D+01  0.370321D+01  0.116614D+01 -0.380605D+01  0.167526D+01
      2   0.580256D+01 -0.609266D+01 -0.235648D+01  0.665838D+01 -0.196498D+01
      3   0.428333D+01  0.494511D+01 -0.196581D+01 -0.133859D+01  0.138167D+01
                86            87            88            89            90 
      1   0.121739D+01 -0.170830D+01 -0.305037D+01  0.219521D-01  0.318150D+01
      2  -0.125566D+01  0.160210D+01  0.335046D+01  0.141152D+01 -0.524501D+01
      3  -0.101277D+01 -0.430368D+00 -0.250960D+01  0.131991D+01  0.164375D+01
                91            92            93            94            95 
      1   0.816737D+00 -0.139857D+01  0.995310D+00 -0.540933D+00  0.421897D+01
      2   0.163735D+01 -0.200562D+01  0.159941D+00 -0.279405D+01  0.350013D+01
      3  -0.385299D+01  0.319816D+01  0.118809D+01  0.626767D+01 -0.900961D+01
                96            97            98            99           100 
      1  -0.274591D+01 -0.468397D+00  0.110868D+01 -0.110161D+01  0.188921D+01
      2   0.170675D+01 -0.121668D+01  0.180443D+01  0.128602D+01  0.852460D+00
      3  -0.295572D+01  0.157989D+01 -0.269074D+01 -0.134439D+01 -0.217342D+01
               101           102           103           104           105 
      1  -0.170885D+01  0.370338D+01 -0.223613D+01  0.306025D+01 -0.540937D+01
      2  -0.146721D+01  0.298388D+01 -0.750979D+00  0.197407D+01 -0.280854D+01
      3  -0.199429D+00 -0.409567D+00  0.239538D+01  0.134754D+01  0.271819D+00
               106           107           108           109           110 
      1   0.326375D+01 -0.247376D+01  0.876336D+01 -0.121095D+01  0.367215D-02
      2   0.111610D+00 -0.249151D+01  0.529970D+01 -0.287917D+01 -0.186651D+01
      3  -0.248029D+01 -0.103138D+01 -0.772795D+00  0.607116D+01  0.335018D+01
               111           112           113           114           115 
      1  -0.250108D+01 -0.862313D+00  0.130168D+00 -0.390811D+01 -0.505113D+00
      2  -0.214774D+00 -0.246428D+01 -0.233502D+01 -0.131357D+01 -0.248305D+01
      3   0.307514D+01  0.606857D+01  0.568316D+01  0.319385D+01  0.401078D+01
               116           117           118           119           120 
      1  -0.536968D+00 -0.275724D+01 -0.425460D+01 -0.200137D+01  0.451093D+01
      2  -0.191938D+01 -0.122115D+01  0.113955D+01 -0.344616D+00  0.333142D+01
      3   0.292336D+01  0.243062D+01 -0.751801D+01 -0.276830D+01  0.459252D+01
               121           122           123           124           125 
      1  -0.940905D+00 -0.123025D+01 -0.729175D-01  0.397854D+01  0.172694D+01
      2   0.103210D+00 -0.220265D+00  0.347378D+00 -0.896139D+00 -0.375417D+00
      3  -0.423913D+00 -0.140695D+01  0.116159D+01  0.505403D+01  0.236528D+01
               126           127           128           129           130 
      1  -0.436058D+01 -0.260273D+01  0.463307D+01  0.193703D+01  0.442281D+01
      2  -0.258985D+01 -0.285384D+01  0.305750D+01  0.131327D+01  0.357924D+01
      3  -0.361082D+01 -0.153095D+01 -0.165286D+01 -0.464448D+00  0.256225D+01
               131           132           133           134           135 
      1  -0.924539D+01 -0.375625D+01  0.100757D+01 -0.110214D+01 -0.192639D+01
      2  -0.424157D+01 -0.232725D+01 -0.189785D+00 -0.124814D+01 -0.103938D+01
      3   0.291563D+01 -0.189084D+00  0.341446D+00  0.397564D+00  0.245846D+00
               136           137           138           139           140 
      1   0.694997D+00 -0.201009D+01 -0.146959D+01  0.146141D+00 -0.136980D+01
      2   0.803401D+01  0.193011D+01 -0.384936D+01  0.214802D+01  0.115236D+01
      3   0.380880D+01 -0.505615D+00 -0.262513D+01  0.174173D+01  0.633169D+00
               141           142           143           144           145 
      1  -0.268752D+00 -0.463065D+00  0.268207D+01  0.237232D+01  0.382204D+01
      2  -0.175393D+01 -0.694815D+01 -0.206945D+01  0.520193D+01 -0.468865D+01
      3  -0.129078D+01 -0.298006D+01 -0.511577D+00  0.253240D+01 -0.285040D+01
               146           147           148           149           150 
      1   0.484539D+01  0.268725D+01  0.365232D+01  0.477436D+01  0.183112D+01
      2  -0.129284D+01 -0.238233D+00 -0.300393D+01 -0.182061D+01  0.260134D+00
      3  -0.420388D+01 -0.252281D+01 -0.137890D+01 -0.363255D+01 -0.183387D+01
               151           152           153 
      1   0.298927D+01  0.401095D+01  0.344938D+01
      2  -0.355267D+01 -0.891379D+00  0.207475D+00
      3  -0.194981D+01 -0.238818D+01 -0.210265D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.433642D+01 -0.297094D+01  0.269985D+01 -0.300880D+01 -0.168934D+01
      2  -0.176486D+01  0.318519D+01 -0.132317D+01  0.320536D+01  0.157988D+01
      3  -0.257155D+01 -0.214254D+00 -0.137668D+01 -0.196565D+00  0.109460D+00
      4  -0.307912D+01 -0.242042D+01 -0.898129D+00 -0.245100D+01  0.323577D+01
      5   0.278334D+01 -0.859789D+00 -0.324693D+01 -0.865373D+00 -0.129267D+01
      6  -0.895843D+00 -0.126412D+01 -0.301024D+00 -0.129582D+01 -0.374358D+01
                 6             7             8             9            10 
      1  -0.886666D+00  0.276554D+01 -0.847195D+00 -0.255144D+01 -0.513108D+01
      2  -0.372400D+01 -0.125925D+01 -0.377792D+01  0.148968D+00 -0.392709D+01
      3   0.461067D+01 -0.150629D+01  0.462511D+01  0.240247D+01  0.905816D+01
      4  -0.131284D+01 -0.878317D+00 -0.121723D+01 -0.166648D+00 -0.130871D+01
      5  -0.170881D+00 -0.329913D+01 -0.165752D+00 -0.145907D+01 -0.603088D+01
      6  -0.620140D+00 -0.163266D+00 -0.596655D+00  0.460018D+01 -0.407408D+01
                11            12            13            14            15 
      1  -0.430216D+01 -0.192213D+01 -0.433295D+01 -0.804265D+01 -0.139387D+02
      2  -0.601532D+01  0.365724D+01 -0.509509D+01  0.500739D+01  0.158036D+01
      3   0.103175D+02 -0.173511D+01  0.942804D+01  0.303526D+01  0.123584D+02
      4  -0.120878D+02 -0.979634D+01 -0.134498D+02  0.257611D+01  0.176788D+01
      5  -0.848523D+01  0.617200D+01 -0.945516D+01  0.667405D+01  0.298669D+01
      6   0.385672D+01  0.864078D+01  0.471592D+01 -0.384043D+01 -0.702924D+01
                16            17            18            19            20 
      1  -0.305314D+01 -0.140943D+02  0.134162D+02 -0.830738D+01 -0.913157D+01
      2   0.310208D+01  0.217276D+01 -0.145014D+01  0.242940D+01  0.666421D+01
      3  -0.489332D-01  0.119216D+02 -0.119661D+02  0.587799D+01  0.246736D+01
      4  -0.110528D+02  0.226846D+00 -0.105269D+01 -0.365478D+01  0.175138D+01
      5   0.626116D+01  0.217432D+01 -0.124587D+01  0.542873D+01  0.709567D+01
      6   0.685929D+01 -0.670409D+01  0.775471D+01  0.649832D+01  0.109738D+02
                21            22            23            24            25 
      1   0.521640D+01 -0.848373D+01  0.135511D+02  0.892000D+01  0.637366D+01
      2   0.854262D+01  0.464257D+01 -0.136622D+02 -0.111738D+02  0.748129D+01
      3  -0.137590D+02  0.384117D+01  0.111119D+00  0.225380D+01 -0.138549D+02
      4   0.107823D+02  0.267104D+01  0.353746D+01  0.460297D+01  0.118031D+02
      5  -0.561581D+01  0.754437D+01  0.396575D+01  0.842191D+01 -0.704415D+01
      6   0.503896D+00  0.946761D+01 -0.724486D+01 -0.147760D+01  0.116945D+00
                26            27            28            29            30 
      1   0.956532D+01 -0.511378D+01 -0.306770D+01  0.719978D+01  0.108949D+02
      2  -0.105840D+02  0.112812D+02  0.489084D+01 -0.939337D+01 -0.166590D+02
      3   0.101864D+01 -0.616739D+01 -0.182314D+01  0.219359D+01  0.576411D+01
      4   0.499194D+01  0.669840D+00  0.205928D+01 -0.689557D+00 -0.221753D+01
      5   0.663761D+01 -0.893125D+01  0.655216D+01  0.284366D+01 -0.102024D+02
      6  -0.789297D+00  0.117214D+01 -0.536566D+01 -0.133105D+02  0.392234D+01
                31            32            33            34            35 
      1   0.657754D+01  0.494540D+01  0.569237D+01  0.111524D+02  0.460259D+01
      2  -0.819870D+01 -0.165085D+01 -0.292283D+00 -0.163559D+02  0.924690D-01
      3   0.162116D+01 -0.329454D+01 -0.540009D+01  0.520342D+01 -0.469506D+01
      4   0.210256D+00 -0.104959D+02 -0.112757D+02 -0.124505D+01 -0.122651D+02
      5   0.475019D+01 -0.671713D+01  0.626562D+00 -0.104235D+02  0.215988D+01
      6  -0.121176D+02  0.250691D+01 -0.844806D+01  0.493630D+01 -0.947625D+01
                36            37            38            39            40 
      1  -0.203754D+01  0.296253D+01  0.171881D+01 -0.100494D+02  0.171994D+01
      2  -0.274916D+01  0.402942D+01  0.137005D+02  0.250887D+01  0.135156D+02
      3   0.478670D+01 -0.699195D+01 -0.154194D+02  0.754049D+01 -0.152355D+02
      4   0.786735D+01 -0.156096D+01 -0.753635D+01  0.112813D-01 -0.800072D+01
      5  -0.400924D-01 -0.170159D+01 -0.272697D+01 -0.102429D+02 -0.405591D+01
      6   0.324902D+01  0.171170D+01 -0.334623D+01 -0.134565D+02 -0.399640D+01
                41            42            43            44            45 
      1  -0.312123D+01 -0.194970D+01 -0.104266D+02 -0.140524D+01 -0.296154D+00
      2  -0.724799D+01  0.425774D+01  0.381540D+01  0.288793D+01  0.292236D+01
      3   0.103692D+02 -0.230805D+01  0.661122D+01 -0.148269D+01 -0.262620D+01
      4   0.923447D+01  0.300246D+01 -0.760968D+00  0.505761D+01 -0.787859D+01
      5  -0.582130D+01 -0.124025D+02 -0.837159D+01 -0.113558D+02  0.804453D+01
      6   0.306594D+01  0.120999D+01 -0.123043D+02  0.142665D+01 -0.537339D+01
                46            47            48            49            50 
      1  -0.165766D+01  0.327056D+01 -0.561909D+01  0.285025D+01 -0.590693D+01
      2  -0.360419D+00 -0.103950D+01 -0.165199D+01 -0.863493D+00  0.238944D+01
      3   0.201808D+01 -0.223106D+01  0.727107D+01 -0.198676D+01  0.351749D+01
      4  -0.809745D+00  0.213589D+01 -0.155653D+00  0.366448D+01  0.230280D+01
      5   0.304582D+01 -0.683698D+00  0.273751D+01 -0.176585D+01 -0.263729D+01
      6  -0.182678D+01  0.297952D+01 -0.391573D+01  0.285485D+00 -0.872651D+01
                51            52            53            54            55 
      1   0.938113D+01 -0.411340D+01  0.894941D+01 -0.195290D+02  0.125758D+02
      2   0.245027D+00  0.105943D+01 -0.321706D+00 -0.101183D+02 -0.710708D+01
      3  -0.962616D+01  0.305397D+01 -0.862770D+01  0.296473D+02 -0.546869D+01
      4  -0.282078D+01 -0.852118D+00 -0.342850D+01  0.353193D+01 -0.774067D+01
      5   0.365990D+01  0.557488D+01  0.300009D+01 -0.900786D+01 -0.929062D+01
      6   0.115237D+02 -0.133104D+01  0.114869D+02 -0.152173D+02  0.468435D+01
                56            57            58            59            60 
      1  -0.558632D+01 -0.284011D+01 -0.894191D+01  0.285346D+01  0.134329D+01
      2   0.421542D+01  0.385410D+01  0.591988D+01  0.943405D+00 -0.394913D+01
      3   0.137089D+01 -0.101398D+01  0.302203D+01 -0.379686D+01  0.260584D+01
      4   0.103152D+02  0.399806D+01  0.118121D+02 -0.153942D+02 -0.490331D+01
      5   0.661205D+01  0.688954D+01  0.100481D+02 -0.750747D+01 -0.874144D+01
      6  -0.515988D+01 -0.340533D+01 -0.616939D+01  0.117819D+02  0.729283D+01
                61            62            63            64            65 
      1  -0.191110D+01  0.158542D+01 -0.122630D+01  0.218111D+02  0.874872D+01
      2   0.348892D+01 -0.261346D+01 -0.362194D+01 -0.603590D+01  0.100733D+01
      3  -0.157782D+01  0.102804D+01  0.484824D+01 -0.157752D+02 -0.975605D+01
      4   0.352834D+01 -0.346577D+01 -0.345231D+01  0.145938D+02  0.132972D+02
      5   0.651648D+01 -0.532077D+01 -0.641571D+01 -0.174183D+01 -0.119957D-01
      6  -0.362264D+01  0.622590D+01  0.299908D+01 -0.149263D+01 -0.271121D+01
                66            67            68            69            70 
      1   0.393493D+01  0.105833D+02  0.485637D+01  0.298653D+01  0.810893D+01
      2  -0.169656D+00  0.454439D+00  0.561595D+01  0.172714D+01 -0.213270D+01
      3  -0.376528D+01 -0.110378D+02 -0.104723D+02 -0.471366D+01 -0.597624D+01
      4   0.337027D+01  0.144706D+02  0.136064D+02  0.223702D+01  0.622876D+01
      5   0.465290D+01 -0.860080D+00 -0.946561D+00  0.369894D+01  0.325877D+01
      6   0.647200D+00 -0.249471D+01 -0.176893D+01  0.346212D+01  0.525529D+00
                71            72            73            74            75 
      1   0.324883D+01  0.136134D+01  0.705485D+01 -0.529248D+00  0.309161D+01
      2   0.216324D+01 -0.107055D+00 -0.783319D+01  0.156417D+01 -0.840700D+01
      3  -0.541207D+01 -0.125428D+01  0.778332D+00 -0.103492D+01  0.531539D+01
      4   0.541789D+01  0.354571D+01  0.128847D+01  0.278689D+01 -0.560153D+00
      5   0.248957D+01  0.461390D+01  0.938102D+01 -0.274942D+01  0.122726D+02
      6   0.218559D+01  0.120880D+01  0.222177D+00  0.410956D+00  0.195078D+01
                76            77            78            79            80 
      1  -0.257105D+01 -0.148086D+01 -0.365353D+00  0.387394D+01 -0.153536D+01
      2   0.342446D+01 -0.947627D+00  0.709036D+01 -0.983388D+01  0.560719D+01
      3  -0.853416D+00  0.242849D+01 -0.672500D+01  0.595994D+01 -0.407182D+01
      4   0.189419D+01 -0.374131D+01  0.256599D+01  0.360294D+00  0.373003D+01
      5  -0.578673D+01  0.305564D+01 -0.690584D+01  0.141532D+02 -0.320249D+01
      6   0.452859D+00 -0.260296D+01  0.324830D+01  0.214227D+01  0.502786D+01
                81            82            83            84            85 
      1  -0.334203D+01  0.253468D+02  0.552460D+01 -0.766175D+01  0.416053D+01
      2  -0.184377D+02 -0.794194D+01  0.148641D+01  0.770814D+00  0.154147D+01
      3   0.217797D+02 -0.174049D+02 -0.701101D+01  0.689093D+01 -0.570201D+01
      4  -0.783098D-01  0.167576D+02  0.104367D+02 -0.571068D+01  0.886478D+01
      5   0.205179D+02 -0.386994D+01 -0.135012D+01  0.751483D+01 -0.116303D+01
      6   0.410173D+01 -0.377310D+01 -0.190816D+01  0.439130D+01 -0.229877D+01
                86            87            88            89            90 
      1   0.794823D+00 -0.176135D+01 -0.114933D+02 -0.195518D+01  0.479584D+01
      2   0.424404D+01 -0.138578D+00  0.258503D+01 -0.169450D+01 -0.308330D+01
      3  -0.503886D+01  0.189992D+01  0.890829D+01  0.364968D+01 -0.171254D+01
      4   0.621078D+01 -0.380979D+01 -0.910573D+01 -0.692097D+01  0.436296D+01
      5  -0.174233D+01  0.597124D+00  0.697352D+01  0.137087D+01 -0.672413D+01
      6  -0.327087D+00  0.297877D+01  0.408601D+01  0.292134D+01 -0.564159D+01
                91            92            93            94            95 
      1  -0.186368D+01  0.809586D+01  0.246411D+01  0.612780D+01 -0.213797D+02
      2   0.358173D+01 -0.102240D+02 -0.197525D+01 -0.577740D+01  0.313973D+02
      3  -0.171805D+01  0.212816D+01 -0.488856D+00 -0.350404D+00 -0.100176D+02
      4  -0.398582D+01  0.369732D+01  0.121714D+00  0.574259D+01  0.414260D+01
      5  -0.313858D+01  0.156707D+01  0.190758D+01  0.236278D+01 -0.320645D+00
      6   0.207473D+01 -0.629562D+01 -0.464899D+01 -0.306639D+01  0.172171D+02
                96            97            98            99           100 
      1  -0.783880D+01  0.106068D+01 -0.689758D+01 -0.477347D+01  0.438851D+01
      2   0.671337D+01 -0.158857D+01  0.581954D+01  0.189799D+01  0.244186D+00
      3   0.112543D+01  0.527887D+00  0.107804D+01  0.287548D+01 -0.463269D+01
      4   0.112635D+01  0.148253D+00  0.981742D+00  0.246303D+00 -0.835372D+01
      5   0.569552D+00  0.283393D+01 -0.168669D+00  0.141470D+01  0.325318D+01
      6   0.109207D+02 -0.181481D+01  0.974950D+01  0.649674D+01 -0.344467D+01
               101           102           103           104           105 
      1  -0.152908D+01  0.935188D+00 -0.115157D+01 -0.534002D+01  0.169634D+01
      2  -0.320171D+01  0.240904D+01 -0.327418D+01  0.131613D+02 -0.621880D+01
      3   0.473079D+01 -0.334422D+01  0.442575D+01 -0.782132D+01  0.452246D+01
      4   0.831300D+01 -0.519588D+01  0.769252D+01 -0.861868D+01  0.665734D+01
      5  -0.293498D+01  0.650180D+01 -0.250308D+01  0.405753D+01 -0.361820D+01
      6   0.442282D+01 -0.508497D+01  0.453865D+01 -0.758544D+01  0.953741D+01
               106           107           108           109           110 
      1   0.213675D+01  0.373265D+01 -0.264556D+01 -0.234930D+01 -0.858670D+01
      2   0.239249D+01 -0.102574D+02  0.277103D+01  0.389825D+01  0.129866D+02
      3  -0.452924D+01  0.652479D+01 -0.125468D+00 -0.154895D+01 -0.439990D+01
      4  -0.850761D+01  0.993883D+01 -0.752481D+01  0.899513D+01  0.695303D+01
      5   0.698650D+01 -0.468401D+01  0.915094D+01  0.304973D+01  0.172666D+01
      6  -0.586012D+01  0.111015D+02 -0.153581D+02  0.509958D+01  0.837538D+01
               111           112           113           114           115 
      1  -0.540933D+01 -0.589545D+01 -0.152148D+02 -0.753368D+01 -0.442430D+01
      2   0.403930D+01  0.773741D+01  0.228829D+02  0.715271D+01  0.357948D+01
      3   0.137003D+01 -0.184196D+01 -0.766815D+01  0.380961D+00  0.844826D+00
      4   0.373187D+01  0.701946D+01  0.486994D+01  0.291088D+01  0.409261D+01
      5   0.354341D+01  0.138702D+01  0.152952D+01  0.668810D-01  0.410700D+01
      6   0.673832D+01  0.546412D+01  0.123273D+02  0.106592D+02  0.361523D+01
               116           117           118           119           120 
      1  -0.839710D+01 -0.681097D+01  0.181485D+02  0.517351D+00 -0.701502D+01
      2   0.834538D+01  0.375683D+01 -0.131473D+02 -0.255856D+01  0.949021D+01
      3   0.517183D-01  0.305414D+01 -0.500119D+01  0.204121D+01 -0.247519D+01
      4   0.266389D+01  0.150062D+01 -0.115050D+02  0.627674D+01  0.605262D+01
      5   0.439999D+00  0.118043D+01 -0.154217D+02  0.801613D+00  0.131711D+02
      6   0.115273D+02  0.962268D+01  0.638958D+01 -0.185863D+01 -0.663555D+01
               121           122           123           124           125 
      1   0.281052D+01  0.775172D+00 -0.124105D+01 -0.787001D+01 -0.164186D+01
      2  -0.303439D+01 -0.854123D+00  0.296522D+01  0.968321D+01  0.290203D+01
      3   0.223864D+00  0.789516D-01 -0.172417D+01 -0.181320D+01 -0.126017D+01
      4   0.316602D+01  0.107869D+01 -0.102862D+01  0.699964D+01 -0.270511D+01
      5  -0.196219D+01 -0.174677D+01  0.165541D+01  0.132339D+02 -0.119454D+01
      6  -0.636735D+00 -0.166148D+00  0.270049D+01 -0.593503D+01  0.501633D+01
               126           127           128           129           130 
      1   0.182806D+01  0.477401D+01 -0.178086D+01 -0.297681D+00 -0.236099D+01
      2  -0.838019D+01  0.161542D+01 -0.721832D+01 -0.115186D+01 -0.690888D+01
      3   0.655213D+01 -0.638943D+01  0.899919D+01  0.144955D+01  0.926987D+01
      4  -0.570067D+01 -0.999657D+01  0.122430D+02 -0.320392D+00  0.128680D+02
      5  -0.126044D+02  0.453430D+01 -0.356116D+01  0.427595D+01 -0.464306D+01
      6   0.672025D+01 -0.381559D+01  0.600269D+01 -0.141196D+01  0.577524D+01
               131           132           133           134           135 
      1  -0.619047D+01  0.243627D+01 -0.107773D+01  0.366999D+00 -0.417060D+00
      2   0.227616D+02  0.138706D+01 -0.969496D+00  0.401358D+01  0.156550D+01
      3  -0.165712D+02 -0.382332D+01  0.204723D+01 -0.438058D+01 -0.114844D+01
      4  -0.174236D+02  0.452973D+00  0.231508D+01 -0.257298D+01 -0.155848D+01
      5   0.541978D+01 -0.224824D+01  0.236848D+01 -0.824700D+00 -0.127683D+01
      6  -0.127653D+02  0.625439D+01 -0.406643D+00  0.303563D+01  0.106436D+01
               136           137           138           139           140 
      1  -0.199714D+01 -0.361237D+01  0.903007D+01 -0.234661D+01 -0.346949D+01
      2  -0.414726D+01  0.515170D+00  0.547910D+01 -0.345264D+00  0.240334D+01
      3   0.614440D+01  0.309720D+01 -0.145092D+02  0.269187D+01  0.106615D+01
      4   0.635827D+01  0.430158D+01 -0.384088D+01  0.421770D+01  0.783860D+00
      5  -0.125796D+02 -0.274432D+01  0.107407D+02 -0.196942D+01 -0.197091D+01
      6  -0.498305D+01 -0.676324D+01  0.903339D+01 -0.362053D+01 -0.575589D+01
               141           142           143           144           145 
      1   0.453300D+01  0.648378D+01  0.488746D+01 -0.133407D+02  0.957368D+01
      2  -0.106410D+01  0.281897D+01 -0.677498D+00 -0.912299D+01 -0.117233D+02
      3  -0.346890D+01 -0.930276D+01 -0.420996D+01  0.224637D+02  0.214962D+01
      4  -0.218018D+01 -0.338234D+01 -0.184378D+01  0.382136D+01  0.194487D+01
      5   0.285074D+01  0.985940D+01  0.307815D+01 -0.839339D+01  0.157515D+02
      6   0.752331D+01  0.586281D+01  0.773460D+01 -0.106329D+02  0.299097D+01
               146           147           148           149           150 
      1   0.295671D+01  0.255416D+01  0.426154D+01  0.762514D+00 -0.147672D+01
      2  -0.567583D+01 -0.941672D+01 -0.694066D+01 -0.143056D+01 -0.655203D+01
      3   0.271912D+01  0.686256D+01  0.267911D+01  0.668047D+00  0.802875D+01
      4   0.517118D+01  0.632202D+00  0.455654D+01  0.409710D+01  0.201246D+01
      5   0.546564D+01  0.138903D+02  0.893738D+01  0.600080D+01  0.895339D+01
      6   0.559570D+01  0.303205D+01  0.500151D+01  0.763273D+01  0.522598D+01
               151           152           153 
      1   0.241051D+01 -0.167959D+00 -0.262557D+01
      2  -0.786991D+01 -0.408077D+01 -0.105812D+02
      3   0.545939D+01  0.424873D+01  0.132067D+02
      4   0.308817D+00  0.141065D+01  0.186645D+01
      5   0.119599D+02  0.556861D+01  0.111812D+02
      6   0.329584D+01  0.507215D+01  0.323823D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:54:40 2022, MaxMem=  5368709120 cpu:            2161.0 elap:             270.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30554 -10.28059 -10.28059 -10.28059 -10.28057
 Alpha  occ. eigenvalues --   -0.91517  -0.77371  -0.77371  -0.77370  -0.61954
 Alpha  occ. eigenvalues --   -0.53579  -0.53579  -0.53579  -0.48481  -0.48481
 Alpha  occ. eigenvalues --   -0.44415  -0.44415  -0.44415  -0.40064  -0.40064
 Alpha  occ. eigenvalues --   -0.40063
 Alpha virt. eigenvalues --    0.08380   0.12436   0.12436   0.12436   0.15639
 Alpha virt. eigenvalues --    0.15639   0.15639   0.17670   0.19304   0.19304
 Alpha virt. eigenvalues --    0.22049   0.22049   0.22050   0.23358   0.23358
 Alpha virt. eigenvalues --    0.23359   0.24201   0.24201   0.28630   0.28631
 Alpha virt. eigenvalues --    0.28631   0.33093   0.33094   0.33094   0.35279
 Alpha virt. eigenvalues --    0.35280   0.35280   0.35577   0.37444   0.40277
 Alpha virt. eigenvalues --    0.40278   0.40278   0.41548   0.41548   0.41548
 Alpha virt. eigenvalues --    0.43362   0.43362   0.44967   0.44968   0.44968
 Alpha virt. eigenvalues --    0.45620   0.45620   0.45620   0.46225   0.47678
 Alpha virt. eigenvalues --    0.47678   0.49486   0.49486   0.49487   0.53558
 Alpha virt. eigenvalues --    0.54046   0.54046   0.54046   0.55084   0.55084
 Alpha virt. eigenvalues --    0.57392   0.57392   0.57393   0.59426   0.59426
 Alpha virt. eigenvalues --    0.59427   0.61862   0.62252   0.62252   0.62252
 Alpha virt. eigenvalues --    0.64941   0.64941   0.64941   0.70867   0.70867
 Alpha virt. eigenvalues --    0.70868   0.70926   0.72175   0.72175   0.72374
 Alpha virt. eigenvalues --    0.72375   0.72375   0.80269   0.80270   0.86531
 Alpha virt. eigenvalues --    0.86532   0.86532   0.89994   0.96163   0.96164
 Alpha virt. eigenvalues --    0.96164   1.03720   1.03720   1.03721   1.05131
 Alpha virt. eigenvalues --    1.08658   1.08658   1.08660   1.11905   1.11905
 Alpha virt. eigenvalues --    1.11905   1.14463   1.14463   1.29175   1.29176
 Alpha virt. eigenvalues --    1.29178   1.31645   1.40987   1.40987   1.40987
 Alpha virt. eigenvalues --    1.42576   1.43387   1.43387   1.43390   1.47661
 Alpha virt. eigenvalues --    1.47664   1.47665   1.57454   1.57457   1.67440
 Alpha virt. eigenvalues --    1.67443   1.67444   1.75208   1.75208   1.79165
 Alpha virt. eigenvalues --    1.88456   1.88458   1.92069   1.92070   1.92070
 Alpha virt. eigenvalues --    1.92745   1.92749   1.92750   1.98442   1.98447
 Alpha virt. eigenvalues --    1.98450   2.09677   2.09677   2.09678   2.13262
 Alpha virt. eigenvalues --    2.13263   2.13265   2.19168   2.19172   2.21998
 Alpha virt. eigenvalues --    2.22000   2.22001   2.23398   2.33109   2.33110
 Alpha virt. eigenvalues --    2.33110   2.42906   2.42907   2.48841   2.48842
 Alpha virt. eigenvalues --    2.48844   2.51861   2.64410   2.64412   2.64412
 Alpha virt. eigenvalues --    2.69362   2.69362   2.69364   2.77455   2.77456
 Alpha virt. eigenvalues --    2.80304   2.80307   2.80307   2.95376   3.11052
 Alpha virt. eigenvalues --    3.11055   3.11057   3.21554   3.21555   3.21558
 Alpha virt. eigenvalues --    3.23015   3.23016   3.23018   3.33964   3.33967
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   11.691648  -0.033807  -0.033785  -0.033854  -0.033402   0.045484
     2  C   -0.033807   4.446590  -0.045799  -0.045797  -0.045807   0.178831
     3  C   -0.033785  -0.045799   4.446554  -0.045787  -0.045819   0.000730
     4  C   -0.033854  -0.045797  -0.045787   4.446622  -0.045820   0.000764
     5  C   -0.033402  -0.045807  -0.045819  -0.045820   4.446309   0.002021
     6  H    0.045484   0.178831   0.000730   0.000764   0.002021   0.754849
     7  H    0.046033   0.178707   0.000697   0.001992   0.000687  -0.049189
     8  H    0.045861   0.178711   0.002002   0.000676   0.000744  -0.049167
     9  H    0.045693   0.000725   0.178767   0.000743   0.002012   0.006405
    10  H    0.045733   0.002005   0.178753   0.000705   0.000735   0.000438
    11  H    0.045939   0.000712   0.178737   0.002000   0.000681  -0.007555
    12  H    0.046123   0.000684   0.000713   0.178663   0.001997   0.006374
    13  H    0.045680   0.000763   0.002008   0.178775   0.000681  -0.007565
    14  H    0.045580   0.002011   0.000750   0.178767   0.000717   0.000433
    15  H    0.045378   0.000755   0.000750   0.002023   0.178848   0.000438
    16  H    0.046026   0.002000   0.000682   0.000703   0.178744   0.000163
    17  H    0.045791   0.000693   0.002010   0.000742   0.178779   0.000439
               7          8          9         10         11         12
     1  C    0.046033   0.045861   0.045693   0.045733   0.045939   0.046123
     2  C    0.178707   0.178711   0.000725   0.002005   0.000712   0.000684
     3  C    0.000697   0.002002   0.178767   0.178753   0.178737   0.000713
     4  C    0.001992   0.000676   0.000743   0.000705   0.002000   0.178663
     5  C    0.000687   0.000744   0.002012   0.000735   0.000681   0.001997
     6  H   -0.049189  -0.049167   0.006405   0.000438  -0.007555   0.006374
     7  H    0.754597  -0.049164  -0.007593   0.000428   0.006352   0.000429
     8  H   -0.049164   0.754596   0.000431   0.000165   0.000430  -0.007583
     9  H   -0.007593   0.000431   0.754754  -0.049169  -0.049170   0.006355
    10  H    0.000428   0.000165  -0.049169   0.754678  -0.049175  -0.007601
    11  H    0.006352   0.000430  -0.049170  -0.049175   0.754630   0.000425
    12  H    0.000429  -0.007583   0.006355  -0.007601   0.000425   0.754551
    13  H    0.000428   0.006382   0.000435   0.000435   0.000164  -0.049183
    14  H    0.000165   0.000438  -0.007545   0.006392   0.000435  -0.049159
    15  H    0.006382  -0.007570   0.000440  -0.007536   0.006389   0.000164
    16  H    0.000431   0.000426   0.000431   0.006360  -0.007611   0.000429
    17  H   -0.007576   0.006361   0.000164   0.000432   0.000431   0.000426
              13         14         15         16         17
     1  C    0.045680   0.045580   0.045378   0.046026   0.045791
     2  C    0.000763   0.002011   0.000755   0.002000   0.000693
     3  C    0.002008   0.000750   0.000750   0.000682   0.002010
     4  C    0.178775   0.178767   0.002023   0.000703   0.000742
     5  C    0.000681   0.000717   0.178848   0.178744   0.178779
     6  H   -0.007565   0.000433   0.000438   0.000163   0.000439
     7  H    0.000428   0.000165   0.006382   0.000431  -0.007576
     8  H    0.006382   0.000438  -0.007570   0.000426   0.006361
     9  H    0.000435  -0.007545   0.000440   0.000431   0.000164
    10  H    0.000435   0.006392  -0.007536   0.006360   0.000432
    11  H    0.000164   0.000435   0.006389  -0.007611   0.000431
    12  H   -0.049183  -0.049159   0.000164   0.000429   0.000426
    13  H    0.754797  -0.049192   0.000442  -0.007571   0.006383
    14  H   -0.049192   0.754739   0.000437   0.006372  -0.007580
    15  H    0.000442   0.000437   0.754875  -0.049180  -0.049172
    16  H   -0.007571   0.006372  -0.049180   0.754655  -0.049168
    17  H    0.006383  -0.007580  -0.049172  -0.049168   0.754672
 Mulliken charges:
               1
     1  C   -6.106121
     2  C    1.178026
     3  C    1.178037
     4  C    1.178084
     5  C    1.177893
     6  H    0.116106
     7  H    0.116193
     8  H    0.116258
     9  H    0.116122
    10  H    0.116223
    11  H    0.116186
    12  H    0.116194
    13  H    0.116139
    14  H    0.116239
    15  H    0.116136
    16  H    0.116111
    17  H    0.116175
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -6.106121
     2  C    1.526584
     3  C    1.526568
     4  C    1.526655
     5  C    1.526314
 Electronic spatial extent (au):  <R**2>=            483.9573
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.4466   YY=            -35.4465   ZZ=            -35.4465
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0001
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3795  YYY=             -1.0600  ZZZ=             -0.8569  XYY=              1.7066
  XXY=              0.0183  XXZ=              1.3664  XZZ=             -1.3270  YZZ=              1.0414
  YYZ=             -0.5093  XYZ=              1.8291
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -230.3698 YYYY=           -229.5536 ZZZZ=           -229.7990 XXXY=              0.8864
 XXXZ=             -0.8084 YYYX=             -0.9521 YYYZ=              1.1004 ZZZX=              0.4323
 ZZZY=             -1.3541 XXYY=            -75.7178 XXZZ=            -75.4655 YYZZ=            -76.2658
 XXYZ=              0.2532 YYXZ=              0.3764 ZZXY=              0.0657
 N-N= 1.985839790889D+02 E-N=-8.521722215009D+02  KE= 1.949647996031D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:54:40 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290691D-06-2.40208724D-06-2.94381933D-06
 Polarizability= 6.33545600D+01 1.19950019D-04 6.33541331D+01
                 3.32805357D-04-2.65587199D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0029   -0.0025        0.0009    0.0012
 2      0.0029    0.0025       -0.0011   -0.0023       -0.0038   -0.0019
 3     -0.0009   -0.0012       -0.0039   -0.0067        0.0009    0.0023
 4      0.0011    0.0023       -0.0000    0.0000       -0.0006   -0.0012
 5      0.0077    0.0086        0.0006    0.0012       -0.0027   -0.0025
 6     -0.0009   -0.0023        0.0027    0.0025       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0076    0.0076        0.0035    0.0035
 2      0.0070    0.0070        0.0000    0.0000        0.0035    0.0035
 3      0.0070    0.0070        0.0076    0.0076       -0.0000    0.0000
 4      0.0076    0.0076       -0.0070   -0.0070       -0.0056   -0.0056
 5     -0.0035   -0.0035       -0.0202   -0.0202        0.0070    0.0070
 6      0.0257    0.0257        0.0035    0.0035       -0.0076   -0.0076
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0578    0.0000       -0.1186    0.0101       -0.1023   -0.0047
 2     -0.0898   -0.0101       -0.1106    0.0094       -0.0501    0.0074
 3      0.0388    0.0047       -0.0260    0.0269       -0.1717   -0.0094
 4      0.0851   -0.0094        0.0106    0.0000       -0.1470    0.0047
 5     -0.0568   -0.0343        0.3132   -0.0047        0.1143    0.0101
 6      0.1013    0.0094       -0.2379   -0.0101       -0.1889    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0785    0.0000        0.0976   -0.0088        0.0117    0.0036
 2      0.0366    0.0088        0.1109    0.0071        0.1362    0.0079
 3      0.0237   -0.0036       -0.0364   -0.0063       -0.1856   -0.0071
 4      0.0980   -0.0071       -0.0420    0.0000       -0.1017   -0.0036
 5     -0.0715   -0.0016        0.0669    0.0036       -0.0320   -0.0088
 6     -0.0114    0.0071       -0.0593    0.0088        0.1056    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.2875    3.3186        1.0706    1.1283        2.1482    2.0401
 2      3.2837    3.3075        1.1730    1.1301        2.1122    2.0401
 3      3.3579    3.3075        1.0693    1.1283        2.0974    2.0329
 4      0.1134   -0.0018        0.1271    0.0111        0.1080    0.0249
 5     -0.0089   -0.0072        0.1002    0.0060       -0.0653   -0.0111
 6     -0.0840   -0.0309       -0.0567    0.0072       -0.0297    0.0018
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0379   -5.0113   -2.2651   -0.0006   -0.0005   -0.0004
 Low frequencies ---  160.7279  208.9196  229.5407
 Diagonal vibrational polarizability:
        0.7232470       0.7231538       0.7231710
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    160.7268               208.9194               229.5406
 Red. masses --      1.7162                 1.7869                 1.4859
 Frc consts  --      0.0261                 0.0460                 0.0461
 IR Inten    --      0.0000                 0.0001                 0.0002
 RamAct Fr= 1--      0.0000                 0.0014                 0.0292
  Dep-P Fr= 1--      0.7109                 0.6981                 0.7490
  Dep-U Fr= 1--      0.8310                 0.8222                 0.8565
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0002                 0.0042
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0001                -0.0006                 0.0022
 Delta2 Fr= 1--     -0.0003                -0.0005                -0.0030
 Raman1 Fr= 1--       0.000                  0.006                  0.117
 ROA1   Fr= 1--       0.002                 -0.070                  0.111
 CID1   Fr= 1--      12.356                -12.416                  0.950
 Raman2 Fr= 1--       0.000                  0.002                  0.050
 ROA2   Fr= 1--       0.005                 -0.010                  0.076
 CID2   Fr= 1--      77.959                 -4.115                  1.523
 Raman3 Fr= 1--       0.000                  0.005                  0.100
 ROA3   Fr= 1--       0.002                 -0.070                  0.111
 CID3   Fr= 1--      14.868                -15.101                  1.109
 RC180  Fr= 1--       0.662                  0.644                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00    -0.01  -0.00  -0.01
     2   6    -0.01   0.01   0.00    -0.02   0.05  -0.01    -0.00  -0.01  -0.00
     3   6    -0.00   0.00   0.01     0.02  -0.01  -0.01    -0.04   0.02   0.01
     4   6    -0.00   0.00   0.01    -0.02  -0.03   0.04     0.01   0.00   0.01
     5   6     0.01  -0.00   0.00     0.03  -0.02  -0.02     0.02  -0.02  -0.03
     6   1     0.01   0.21   0.10    -0.06  -0.04  -0.04    -0.04  -0.46  -0.23
     7   1    -0.15  -0.02  -0.19     0.07   0.08   0.04     0.32   0.05   0.41
     8   1     0.11  -0.18   0.08    -0.09   0.14  -0.04    -0.26   0.39  -0.17
     9   1     0.29  -0.15  -0.20     0.26  -0.14  -0.19     0.02  -0.00  -0.03
    10   1    -0.20   0.31  -0.13    -0.15   0.23  -0.14    -0.09   0.13   0.00
    11   1    -0.10  -0.15   0.35    -0.05  -0.13   0.28    -0.11  -0.04   0.09
    12   1    -0.17  -0.09   0.03     0.02   0.03   0.05     0.10   0.07  -0.00
    13   1     0.04   0.08  -0.16    -0.04  -0.05   0.11    -0.01  -0.05   0.10
    14   1     0.12   0.02   0.16    -0.05  -0.07  -0.01    -0.06  -0.00  -0.08
    15   1     0.26   0.15  -0.04    -0.35  -0.24   0.00     0.18   0.08  -0.09
    16   1    -0.02  -0.27  -0.12     0.09   0.37   0.18     0.02  -0.21  -0.09
    17   1    -0.21   0.11   0.16     0.36  -0.19  -0.26    -0.10   0.04   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.8816               298.5715               307.8296
 Red. masses --      1.0622                 2.6641                 2.2972
 Frc consts  --      0.0436                 0.1399                 0.1283
 IR Inten    --      0.0000                 0.0016                 0.0001
 RamAct Fr= 1--      0.0009                 0.8987                 0.9416
  Dep-P Fr= 1--      0.5603                 0.7499                 0.7497
  Dep-U Fr= 1--      0.7182                 0.8571                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.1284                 0.1345
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0002                -0.0062                 0.0075
 Delta2 Fr= 1--      0.0012                -0.0032                 0.0045
 Raman1 Fr= 1--       0.004                  3.595                  3.766
 ROA1   Fr= 1--       0.018                 -0.703                  0.859
 CID1   Fr= 1--       5.025                 -0.196                  0.228
 Raman2 Fr= 1--       0.001                  1.540                  1.614
 ROA2   Fr= 1--      -0.015                 -0.124                  0.143
 CID2   Fr= 1--     -11.684                 -0.080                  0.089
 Raman3 Fr= 1--       0.003                  3.081                  3.227
 ROA3   Fr= 1--       0.018                 -0.703                  0.859
 CID3   Fr= 1--       6.997                 -0.228                  0.266
 RC180  Fr= 1--       0.436                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.01   0.03  -0.02    -0.01   0.01   0.01
     2   6    -0.01  -0.00  -0.01     0.01   0.15   0.01    -0.11  -0.02  -0.13
     3   6    -0.00  -0.01   0.02     0.02  -0.09   0.13     0.09  -0.05  -0.06
     4   6     0.00   0.00  -0.00     0.09   0.09  -0.08     0.12   0.04   0.13
     5   6     0.01   0.01   0.00    -0.10  -0.12  -0.06    -0.10   0.03   0.06
     6   1    -0.02   0.10   0.04    -0.03   0.21   0.06    -0.29  -0.21  -0.16
     7   1    -0.09  -0.02  -0.12     0.11   0.24  -0.08    -0.07  -0.01  -0.06
     8   1     0.06  -0.09   0.01    -0.07   0.18   0.09    -0.12   0.14  -0.34
     9   1     0.02  -0.05  -0.01    -0.13  -0.29   0.10     0.16  -0.10  -0.11
    10   1    -0.01   0.03   0.02     0.13  -0.07   0.28     0.05  -0.17  -0.16
    11   1    -0.01  -0.03   0.07     0.08  -0.10   0.25     0.25   0.02  -0.02
    12   1     0.48   0.28  -0.06     0.14   0.06  -0.13     0.10   0.18   0.22
    13   1    -0.13  -0.22   0.49     0.16   0.07  -0.15     0.24  -0.09   0.14
    14   1    -0.34  -0.05  -0.44     0.07   0.23  -0.06     0.16   0.07   0.19
    15   1     0.07   0.05  -0.00    -0.21  -0.15  -0.16    -0.04   0.04   0.19
    16   1     0.01  -0.05  -0.02    -0.20  -0.15  -0.18    -0.22   0.04  -0.06
    17   1    -0.04   0.05   0.02    -0.08  -0.28   0.11    -0.22   0.08   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    363.9943               384.7022               396.6529
 Red. masses --      2.6350                 2.3557                 2.2593
 Frc consts  --      0.2057                 0.2054                 0.2094
 IR Inten    --      0.0432                 0.0433                 0.0496
 RamAct Fr= 1--      0.1641                 0.2890                 0.2612
  Dep-P Fr= 1--      0.7014                 0.7216                 0.7066
  Dep-U Fr= 1--      0.8245                 0.8383                 0.8281
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0226                 0.0404                 0.0361
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0053                -0.0021                 0.0057
 Delta2 Fr= 1--     -0.0021                 0.0017                -0.0019
 Raman1 Fr= 1--       0.656                  1.156                  1.045
 ROA1   Fr= 1--      -0.572                 -0.147                  0.490
 CID1   Fr= 1--      -0.871                 -0.127                  0.469
 Raman2 Fr= 1--       0.271                  0.485                  0.433
 ROA2   Fr= 1--      -0.110                 -0.064                  0.153
 CID2   Fr= 1--      -0.406                 -0.131                  0.353
 Raman3 Fr= 1--       0.541                  0.969                  0.865
 ROA3   Fr= 1--      -0.572                 -0.147                  0.490
 CID3   Fr= 1--      -1.056                 -0.152                  0.566
 RC180  Fr= 1--       0.649                  0.677                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.11  -0.05     0.05   0.09  -0.10     0.10   0.04   0.09
     2   6     0.04   0.10  -0.07     0.14  -0.05  -0.07    -0.04  -0.02  -0.10
     3   6    -0.07   0.02   0.00     0.03   0.02   0.06     0.10   0.12   0.07
     4   6     0.06  -0.16  -0.02    -0.09  -0.05   0.12    -0.10  -0.01  -0.08
     5   6    -0.04   0.03   0.09    -0.08   0.05  -0.09     0.00  -0.11   0.08
     6   1    -0.09   0.16   0.01     0.29  -0.08  -0.14    -0.27  -0.18  -0.09
     7   1     0.23   0.26  -0.23     0.01  -0.17   0.06    -0.10  -0.06  -0.11
     8   1    -0.07   0.19  -0.02     0.22  -0.14  -0.07     0.05   0.07  -0.37
     9   1    -0.11   0.15   0.09    -0.12  -0.14   0.05     0.17   0.23   0.09
    10   1    -0.05   0.21   0.11     0.14   0.10   0.23     0.07   0.14   0.03
    11   1    -0.34  -0.09  -0.09     0.02  -0.01   0.16     0.06   0.11   0.01
    12   1     0.03  -0.14   0.00    -0.27   0.07   0.27    -0.09  -0.22  -0.20
    13   1     0.02  -0.15   0.01    -0.20  -0.04   0.25    -0.31   0.20  -0.08
    14   1     0.07  -0.23  -0.03    -0.00  -0.38   0.14    -0.16  -0.10  -0.17
    15   1     0.05  -0.00   0.41    -0.12   0.02  -0.06    -0.10  -0.14  -0.02
    16   1    -0.20   0.16  -0.04    -0.20   0.09  -0.23    -0.09  -0.14  -0.04
    17   1    -0.19   0.16   0.14    -0.11  -0.01   0.03     0.03  -0.26   0.24
                     10                     11                     12
                      A                      A                      A
 Frequencies --    689.4948               751.1866               768.7096
 Red. masses --      3.3460                 2.5690                 2.5216
 Frc consts  --      0.9372                 0.8541                 0.8779
 IR Inten    --      0.0056                 0.3001                 0.2901
 RamAct Fr= 1--     14.3481                 1.4479                 2.2712
  Dep-P Fr= 1--      0.0008                 0.7294                 0.3304
  Dep-U Fr= 1--      0.0016                 0.8436                 0.4967
 Alpha2 Fr= 1--      0.3182                 0.0005                 0.0212
 Beta2  Fr= 1--      0.0039                 0.2036                 0.1880
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0038                 0.0210                -0.0052
 Delta2 Fr= 1--     -0.0050                 0.0268                 0.0010
 Raman1 Fr= 1--      57.392                  5.791                  9.085
 ROA1   Fr= 1--      -0.519                  2.877                 -0.468
 CID1   Fr= 1--      -0.009                  0.497                 -0.051
 Raman2 Fr= 1--       0.046                  2.443                  2.256
 ROA2   Fr= 1--      -0.051                  0.290                 -0.133
 CID2   Fr= 1--      -1.091                  0.119                 -0.059
 Raman3 Fr= 1--       0.093                  4.885                  4.512
 ROA3   Fr= 1--      -0.519                  2.877                 -0.468
 CID3   Fr= 1--      -5.606                  0.589                 -0.104
 RC180  Fr= 1--      -0.997                  0.687                 -0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.00     0.01   0.02  -0.06    -0.06  -0.01  -0.02
     2   6     0.18   0.01  -0.14    -0.08   0.06   0.05     0.02  -0.06  -0.02
     3   6    -0.12  -0.06  -0.08     0.04   0.08  -0.14    -0.04   0.17   0.02
     4   6    -0.11   0.19   0.06     0.01  -0.01  -0.01     0.05  -0.11  -0.04
     5   6     0.04  -0.11   0.16     0.04  -0.11   0.02    -0.11  -0.01   0.03
     6   1     0.15   0.01  -0.13    -0.04  -0.06  -0.03    -0.05   0.02   0.05
     7   1     0.24   0.07  -0.21    -0.34  -0.15   0.26     0.25   0.13  -0.21
     8   1     0.19   0.04  -0.19     0.04  -0.01  -0.04    -0.09   0.03   0.04
     9   1    -0.21  -0.25  -0.14    -0.33  -0.30  -0.17    -0.10  -0.15  -0.12
    10   1    -0.12  -0.17  -0.11     0.32   0.26   0.27     0.05  -0.05   0.05
    11   1    -0.08  -0.07  -0.04     0.01  -0.01   0.11     0.43   0.34   0.30
    12   1    -0.15   0.18   0.07     0.04  -0.05  -0.05    -0.02  -0.11  -0.00
    13   1    -0.18   0.25   0.08     0.02   0.01  -0.05    -0.00  -0.08   0.00
    14   1    -0.10   0.13   0.04    -0.01   0.05  -0.02     0.08  -0.22  -0.04
    15   1     0.08  -0.10   0.20     0.19  -0.14   0.40     0.04   0.11  -0.09
    16   1     0.15  -0.17   0.28     0.05   0.04   0.08     0.21  -0.12   0.36
    17   1     0.06  -0.11   0.15    -0.05   0.06  -0.05    -0.04   0.11  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    781.1108               831.3875               876.6209
 Red. masses --      2.2918                 2.6466                 2.2219
 Frc consts  --      0.8239                 1.0778                 1.0060
 IR Inten    --      0.0041                 0.5515                 0.3079
 RamAct Fr= 1--      0.5637                 3.8062                 2.9282
  Dep-P Fr= 1--      0.7387                 0.7406                 0.6934
  Dep-U Fr= 1--      0.8497                 0.8509                 0.8189
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0029
 Beta2  Fr= 1--      0.0798                 0.5398                 0.3997
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0210                -0.0552                 0.1476
 Delta2 Fr= 1--     -0.0202                -0.0865                 0.1618
 Raman1 Fr= 1--       2.255                 15.225                 11.713
 ROA1   Fr= 1--      -2.660                 -8.069                 19.345
 CID1   Fr= 1--      -1.180                 -0.530                  1.652
 Raman2 Fr= 1--       0.958                  6.478                  4.796
 ROA2   Fr= 1--      -0.341                 -0.633                  2.248
 CID2   Fr= 1--      -0.356                 -0.098                  0.469
 Raman3 Fr= 1--       1.916                 12.955                  9.592
 ROA3   Fr= 1--      -2.660                 -8.069                 19.345
 CID3   Fr= 1--      -1.388                 -0.623                  2.017
 RC180  Fr= 1--       0.699                  0.702                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.06  -0.10  -0.05    -0.10  -0.00  -0.07
     2   6    -0.02   0.00  -0.02    -0.04  -0.13   0.01     0.05   0.13  -0.13
     3   6    -0.11   0.06   0.08     0.12   0.01   0.03     0.03  -0.02   0.10
     4   6     0.00   0.01   0.01    -0.11   0.14   0.04    -0.03  -0.05  -0.03
     5   6     0.11  -0.06  -0.08    -0.03  -0.08  -0.11    -0.06  -0.06   0.02
     6   1     0.18   0.09  -0.05    -0.04   0.04   0.10     0.43   0.11  -0.29
     7   1     0.03   0.00   0.08     0.32   0.15  -0.23    -0.19  -0.13   0.27
     8   1    -0.07  -0.07   0.17    -0.24  -0.05   0.20     0.13  -0.09   0.05
     9   1     0.06  -0.03  -0.04     0.18   0.22   0.12     0.24   0.26   0.16
    10   1    -0.24  -0.28  -0.20     0.20   0.22   0.19    -0.06  -0.00  -0.01
    11   1     0.29   0.25   0.15     0.01  -0.03  -0.01     0.06   0.03   0.01
    12   1     0.03  -0.15  -0.10    -0.09   0.24   0.08     0.05   0.14   0.04
    13   1    -0.12   0.14  -0.02     0.01   0.04   0.02     0.24  -0.28  -0.08
    14   1    -0.07  -0.00  -0.08    -0.09   0.24   0.09     0.01   0.16   0.08
    15   1     0.13  -0.19   0.40     0.18  -0.07   0.29     0.06  -0.04   0.16
    16   1    -0.20   0.21  -0.35     0.03   0.09   0.02     0.14  -0.11   0.25
    17   1    -0.06   0.03   0.06    -0.12   0.17  -0.27    -0.06   0.03  -0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    926.4878               982.1823              1027.8596
 Red. masses --      1.8146                 1.6958                 1.4752
 Frc consts  --      0.9177                 0.9639                 0.9183
 IR Inten    --      0.1607                 0.0410                 0.1025
 RamAct Fr= 1--      3.1561                 2.0990                 0.6932
  Dep-P Fr= 1--      0.7365                 0.6566                 0.7431
  Dep-U Fr= 1--      0.8483                 0.7927                 0.8526
 Alpha2 Fr= 1--      0.0007                 0.0035                 0.0001
 Beta2  Fr= 1--      0.4462                 0.2773                 0.0985
 AlphaG Fr= 1--     -0.0001                 0.0001                 0.0000
 Gamma2 Fr= 1--     -0.1125                 0.0605                -0.0320
 Delta2 Fr= 1--     -0.1434                 0.0957                 0.0417
 Raman1 Fr= 1--      12.624                  8.396                  2.773
 ROA1   Fr= 1--     -15.387                  8.871                 -1.733
 CID1   Fr= 1--      -1.219                  1.057                 -0.625
 Raman2 Fr= 1--       5.354                  3.328                  1.182
 ROA2   Fr= 1--      -1.553                  0.687                 -1.101
 CID2   Fr= 1--      -0.290                  0.206                 -0.931
 Raman3 Fr= 1--      10.709                  6.655                  2.364
 ROA3   Fr= 1--     -15.387                  8.871                 -1.733
 CID3   Fr= 1--      -1.437                  1.333                 -0.733
 RC180  Fr= 1--       0.697                  0.585                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.08  -0.05   0.06    -0.02  -0.00  -0.02
     2   6    -0.11  -0.05  -0.02     0.04  -0.01  -0.06     0.08   0.01   0.11
     3   6     0.01   0.01  -0.01     0.01   0.04  -0.05    -0.03   0.01   0.02
     4   6    -0.00   0.01  -0.08    -0.09  -0.08   0.06    -0.07  -0.01  -0.09
     5   6     0.11   0.03   0.13     0.07   0.05   0.05     0.04  -0.01  -0.01
     6   1     0.20   0.17  -0.03     0.15   0.02  -0.08    -0.33  -0.24   0.13
     7   1     0.12   0.05   0.06     0.12   0.03  -0.06    -0.12  -0.02  -0.15
     8   1    -0.27  -0.14   0.36     0.05  -0.05  -0.01     0.17   0.21  -0.33
     9   1     0.01   0.01  -0.01    -0.10  -0.05  -0.05    -0.02   0.04   0.03
    10   1     0.03   0.08   0.04     0.09   0.12   0.09    -0.07  -0.03  -0.04
    11   1     0.06   0.04  -0.01     0.08   0.05   0.07     0.09   0.06   0.07
    12   1    -0.20   0.34   0.20     0.30  -0.12  -0.14    -0.11   0.43   0.19
    13   1     0.07  -0.19   0.10     0.28  -0.22  -0.23     0.27  -0.40   0.00
    14   1     0.17  -0.26   0.05    -0.21   0.61   0.11     0.13   0.02   0.16
    15   1    -0.16  -0.08  -0.03    -0.11  -0.00  -0.13     0.01  -0.06   0.08
    16   1    -0.04  -0.15  -0.09    -0.12   0.02  -0.19    -0.03   0.01  -0.09
    17   1     0.16  -0.21   0.36     0.07  -0.03   0.15     0.03  -0.02   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1078.0016              1078.3985              1085.2339
 Red. masses --      2.1926                 2.1895                 2.3184
 Frc consts  --      1.5012                 1.5002                 1.6087
 IR Inten    --      2.9218                 3.6871                 3.2841
 RamAct Fr= 1--      1.0106                 1.3637                 1.7211
  Dep-P Fr= 1--      0.7016                 0.7498                 0.6957
  Dep-U Fr= 1--      0.8246                 0.8570                 0.8205
 Alpha2 Fr= 1--      0.0009                 0.0000                 0.0016
 Beta2  Fr= 1--      0.1389                 0.1948                 0.2354
 AlphaG Fr= 1--      0.0001                -0.0000                -0.0001
 Gamma2 Fr= 1--      0.0708                -0.0854                 0.0359
 Delta2 Fr= 1--      0.0738                -0.1020                -0.0487
 Raman1 Fr= 1--       4.043                  5.455                  6.885
 ROA1   Fr= 1--       9.154                -11.467                  1.891
 CID1   Fr= 1--       2.264                 -2.102                  0.275
 Raman2 Fr= 1--       1.667                  2.337                  2.824
 ROA2   Fr= 1--       1.108                 -1.235                  1.252
 CID2   Fr= 1--       0.665                 -0.528                  0.443
 Raman3 Fr= 1--       3.334                  4.675                  5.649
 ROA3   Fr= 1--       9.154                -11.467                  1.891
 CID3   Fr= 1--       2.746                 -2.453                  0.335
 RC180  Fr= 1--       0.649                  0.714                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.00    -0.01   0.01   0.01     0.01   0.01   0.01
     2   6     0.00  -0.01   0.01    -0.02  -0.01  -0.02    -0.02   0.00  -0.03
     3   6     0.05  -0.10   0.06     0.10  -0.02  -0.09     0.04   0.03   0.06
     4   6     0.01  -0.00   0.01     0.01   0.00  -0.00    -0.03  -0.00  -0.04
     5   6    -0.01   0.02  -0.03    -0.00  -0.02   0.01    -0.02  -0.15   0.08
     6   1    -0.03  -0.01   0.02     0.05   0.02  -0.02     0.08   0.05  -0.04
     7   1     0.02   0.01  -0.01     0.02   0.01   0.01     0.02   0.01   0.03
     8   1     0.01  -0.00  -0.01    -0.03  -0.03   0.06    -0.03  -0.05   0.07
     9   1    -0.30  -0.19   0.17    -0.49   0.35   0.36    -0.08  -0.20  -0.01
    10   1    -0.35   0.58  -0.20    -0.11  -0.04  -0.35    -0.09   0.07  -0.11
    11   1     0.33   0.18  -0.36     0.05  -0.23   0.53    -0.04   0.05  -0.17
    12   1     0.03  -0.08  -0.04    -0.01  -0.00   0.00    -0.05   0.16   0.07
    13   1    -0.03   0.05  -0.00    -0.03   0.03   0.01     0.09  -0.15   0.01
    14   1    -0.01   0.01  -0.01     0.01  -0.05  -0.02     0.04   0.01   0.05
    15   1    -0.08  -0.05   0.11     0.05   0.03  -0.03     0.42   0.22  -0.39
    16   1     0.06  -0.12  -0.00    -0.03   0.06   0.00    -0.24   0.57   0.07
    17   1    -0.00   0.02  -0.03     0.01  -0.02  -0.00    -0.03  -0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1099.0146              1193.4453              1229.0669
 Red. masses --      2.7196                 3.9136                 2.5988
 Frc consts  --      1.9353                 3.2842                 2.3130
 IR Inten    --      2.4901                 1.6063                 3.6819
 RamAct Fr= 1--      1.9369                 7.6453                 6.5922
  Dep-P Fr= 1--      0.0618                 0.7443                 0.7500
  Dep-U Fr= 1--      0.1164                 0.8534                 0.8571
 Alpha2 Fr= 1--      0.0372                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0376                 1.0875                 0.9417
 AlphaG Fr= 1--     -0.0002                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0146                -0.4725                 0.5464
 Delta2 Fr= 1--      0.0325                -0.3372                 0.4093
 Raman1 Fr= 1--       7.748                 30.581                 26.369
 ROA1   Fr= 1--       2.444                -56.148                 65.547
 CID1   Fr= 1--       0.315                 -1.836                  2.486
 Raman2 Fr= 1--       0.451                 13.050                 11.301
 ROA2   Fr= 1--       0.091                 -8.641                  9.838
 CID2   Fr= 1--       0.202                 -0.662                  0.871
 Raman3 Fr= 1--       0.902                 26.099                 22.601
 ROA3   Fr= 1--       2.444                -56.148                 65.547
 CID3   Fr= 1--       2.711                 -2.151                  2.900
 RC180  Fr= 1--      -0.767                  0.707                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05  -0.02    -0.18   0.38   0.09     0.25   0.09  -0.15
     2   6     0.02   0.03   0.01    -0.03  -0.08   0.04    -0.06  -0.05   0.03
     3   6    -0.17  -0.17  -0.12    -0.01  -0.10  -0.04    -0.07  -0.04   0.00
     4   6     0.04   0.04   0.01     0.06  -0.12  -0.02    -0.10  -0.05   0.06
     5   6     0.02  -0.03   0.06     0.01  -0.06  -0.07    -0.08   0.02  -0.04
     6   1    -0.01  -0.05  -0.02     0.20  -0.06  -0.05    -0.20   0.08   0.17
     7   1    -0.08  -0.03   0.01     0.25   0.16  -0.24     0.01  -0.01   0.06
     8   1     0.08   0.05  -0.09     0.10  -0.04  -0.18    -0.16  -0.02   0.15
     9   1     0.18   0.40   0.02     0.12   0.12   0.01     0.03   0.08   0.01
    10   1     0.07   0.29   0.36     0.07   0.05   0.12    -0.09  -0.07  -0.03
    11   1     0.48   0.09   0.14    -0.10  -0.14  -0.09     0.09   0.03   0.05
    12   1    -0.08  -0.04   0.01     0.13  -0.20  -0.10     0.27   0.02  -0.08
    13   1    -0.18   0.21   0.07     0.13  -0.16  -0.07     0.18  -0.09  -0.23
    14   1     0.00  -0.10  -0.07     0.06  -0.15  -0.04    -0.15   0.41   0.11
    15   1     0.10   0.09  -0.20     0.20  -0.04   0.24     0.11   0.10   0.05
    16   1    -0.11   0.19  -0.01     0.06   0.14   0.06     0.14   0.01   0.21
    17   1     0.03  -0.05   0.07    -0.02  -0.29   0.31     0.08  -0.38   0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1239.4154              1313.5962              1324.8086
 Red. masses --      2.5138                 1.5260                 1.2712
 Frc consts  --      2.2752                 1.5514                 1.3145
 IR Inten    --      8.6673                 5.4904                 7.8374
 RamAct Fr= 1--      7.2751                 2.1557                 1.3252
  Dep-P Fr= 1--      0.7499                 0.7499                 0.7226
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8390
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0006
 Beta2  Fr= 1--      1.0392                 0.3079                 0.1853
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0735                -0.4123                 0.3160
 Delta2 Fr= 1--     -0.0710                -0.4292                 0.2602
 Raman1 Fr= 1--      29.100                  8.623                  5.301
 ROA1   Fr= 1--      -9.331                -53.317                 38.665
 CID1   Fr= 1--      -0.321                 -6.183                  7.294
 Raman2 Fr= 1--      12.471                  3.695                  2.224
 ROA2   Fr= 1--      -1.197                 -6.462                  5.503
 CID2   Fr= 1--      -0.096                 -1.749                  2.475
 Raman3 Fr= 1--      24.941                  7.391                  4.447
 ROA3   Fr= 1--      -9.331                -53.317                 38.665
 CID3   Fr= 1--      -0.374                 -7.214                  8.694
 RC180  Fr= 1--       0.714                  0.714                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.01   0.25     0.06   0.04  -0.08     0.01  -0.03   0.03
     2   6    -0.06   0.00  -0.11    -0.11   0.00   0.07    -0.02   0.01   0.02
     3   6    -0.05  -0.03  -0.06    -0.01  -0.01   0.01    -0.00   0.01  -0.00
     4   6    -0.04   0.01  -0.09    -0.02  -0.01   0.02    -0.00   0.01  -0.01
     5   6    -0.04   0.02  -0.10     0.02  -0.04   0.08    -0.07   0.04   0.01
     6   1    -0.10   0.39   0.15     0.20  -0.09  -0.11     0.25  -0.14  -0.18
     7   1     0.24   0.04   0.32     0.17   0.19   0.01    -0.04   0.04  -0.09
     8   1     0.29  -0.38  -0.04     0.49  -0.32  -0.36    -0.00   0.01  -0.01
     9   1    -0.05  -0.02  -0.06     0.03   0.03   0.02    -0.01  -0.02  -0.02
    10   1     0.02   0.05   0.08    -0.03  -0.04  -0.02     0.01   0.01   0.01
    11   1     0.07   0.01   0.02     0.00  -0.00   0.01     0.00   0.01  -0.00
    12   1    -0.11   0.30   0.12     0.08   0.00  -0.02    -0.01  -0.01  -0.01
    13   1     0.10  -0.26   0.10     0.04   0.01  -0.09     0.00  -0.04   0.05
    14   1     0.17  -0.07   0.15    -0.03   0.03  -0.00     0.03  -0.03   0.02
    15   1    -0.00  -0.00   0.09    -0.08  -0.05  -0.07     0.20   0.15   0.15
    16   1     0.06  -0.01  -0.00    -0.08  -0.09  -0.05    -0.12  -0.13  -0.12
    17   1    -0.06   0.03  -0.08    -0.02   0.38  -0.41     0.64  -0.44  -0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1327.5321              1345.0993              1412.0616
 Red. masses --      1.4232                 1.4444                 1.2310
 Frc consts  --      1.4778                 1.5398                 1.4462
 IR Inten    --      0.9980                 1.6623                 3.9979
 RamAct Fr= 1--      3.9580                 4.3833                 0.1073
  Dep-P Fr= 1--      0.6809                 0.7186                 0.3965
  Dep-U Fr= 1--      0.8102                 0.8362                 0.5679
 Alpha2 Fr= 1--      0.0048                 0.0024                 0.0008
 Beta2  Fr= 1--      0.5345                 0.6109                 0.0102
 AlphaG Fr= 1--      0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--      0.6431                -0.6274                -0.0082
 Delta2 Fr= 1--      0.4845                -0.3509                -0.0060
 Raman1 Fr= 1--      15.832                 17.533                  0.429
 ROA1   Fr= 1--      77.241                -71.459                 -0.981
 CID1   Fr= 1--       4.879                 -4.076                 -2.286
 Raman2 Fr= 1--       6.413                  7.331                  0.122
 ROA2   Fr= 1--      11.557                -12.250                 -0.149
 CID2   Fr= 1--       1.802                 -1.671                 -1.222
 Raman3 Fr= 1--      12.827                 14.662                  0.244
 ROA3   Fr= 1--      77.241                -71.459                 -0.981
 CID3   Fr= 1--       6.022                 -4.874                 -4.025
 RC180  Fr= 1--       0.620                  0.672                  0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.08   0.05    -0.10  -0.09  -0.08    -0.01   0.01   0.00
     2   6    -0.06   0.04   0.06    -0.01   0.02   0.01    -0.01   0.00   0.01
     3   6    -0.00   0.01  -0.00     0.03   0.03   0.02     0.00   0.00   0.00
     4   6    -0.01   0.03  -0.01     0.03   0.03   0.03     0.07  -0.12  -0.04
     5   6    -0.00   0.02  -0.08    -0.00   0.04  -0.03    -0.00   0.00  -0.01
     6   1     0.51  -0.37  -0.39    -0.27   0.11   0.16     0.02  -0.04  -0.02
     7   1    -0.06   0.12  -0.20     0.16   0.06   0.18     0.02   0.02  -0.01
     8   1     0.08  -0.07  -0.03     0.47  -0.28  -0.30     0.04  -0.04  -0.01
     9   1    -0.04  -0.04  -0.01    -0.00  -0.02   0.02    -0.00  -0.01   0.00
    10   1    -0.00   0.01  -0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    11   1     0.02   0.02   0.01    -0.03   0.02   0.00    -0.02  -0.00  -0.01
    12   1    -0.01   0.04   0.00    -0.08  -0.12  -0.01    -0.20   0.40   0.36
    13   1     0.00  -0.03   0.04    -0.01   0.07  -0.00    -0.44   0.36   0.04
    14   1     0.05  -0.05   0.04    -0.08  -0.07  -0.12    -0.10   0.56  -0.01
    15   1    -0.05  -0.01  -0.02     0.08   0.07   0.03     0.01   0.01   0.02
    16   1     0.15   0.09   0.13     0.04   0.07   0.04     0.01  -0.00   0.00
    17   1    -0.28  -0.09   0.45     0.11  -0.41   0.39     0.02  -0.04   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1475.7595              1498.7003              1499.0631
 Red. masses --      1.0818                 1.0532                 1.0546
 Frc consts  --      1.3881                 1.3938                 1.3964
 IR Inten    --      4.2350                 5.6355                 5.7630
 RamAct Fr= 1--      1.5364                 3.9035                 3.7330
  Dep-P Fr= 1--      0.7488                 0.7492                 0.7498
  Dep-U Fr= 1--      0.8564                 0.8566                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.2193                 0.5573                 0.5332
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0036                 0.0451                 0.0005
 Delta2 Fr= 1--      0.0035                 0.0072                -0.0106
 Raman1 Fr= 1--       6.145                 15.614                 14.932
 ROA1   Fr= 1--      -0.235                  4.563                 -0.290
 CID1   Fr= 1--      -0.038                  0.292                 -0.019
 Raman2 Fr= 1--       2.631                  6.688                  6.398
 ROA2   Fr= 1--      -0.114                  1.025                  0.096
 CID2   Fr= 1--      -0.043                  0.153                  0.015
 Raman3 Fr= 1--       5.263                 13.375                 12.797
 ROA3   Fr= 1--      -0.235                  4.563                 -0.290
 CID3   Fr= 1--      -0.045                  0.341                 -0.023
 RC180  Fr= 1--       0.713                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.00   0.01  -0.03    -0.03  -0.02  -0.01
     2   6    -0.03  -0.06   0.03     0.00   0.00   0.00     0.00  -0.01   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.01  -0.01     0.00   0.01  -0.05    -0.04  -0.02  -0.01
     5   6    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.00
     6   1     0.42   0.53   0.14    -0.08  -0.06   0.00     0.03   0.09   0.03
     7   1    -0.03  -0.06   0.03     0.02   0.01   0.00     0.00  -0.01   0.02
     8   1    -0.10   0.44  -0.52     0.04  -0.07   0.04     0.01   0.05  -0.10
     9   1    -0.01  -0.01   0.01     0.01   0.01   0.00     0.00  -0.01   0.00
    10   1    -0.01  -0.00  -0.01     0.00  -0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00   0.01    -0.01   0.00  -0.00
    12   1    -0.10  -0.07   0.00    -0.01  -0.35  -0.23     0.61   0.27  -0.13
    13   1    -0.01  -0.06   0.10    -0.25  -0.20   0.60    -0.26   0.31  -0.14
    14   1    -0.02   0.09  -0.01     0.27   0.32   0.39     0.35  -0.22   0.39
    15   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.01   0.01  -0.00
    16   1     0.01   0.01   0.01    -0.00   0.00   0.01    -0.00   0.01  -0.00
    17   1    -0.02  -0.02   0.04    -0.01   0.01   0.01     0.01  -0.04   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2170.0065              2206.9115              2244.6889
 Red. masses --      2.1314                 2.1898                 2.2674
 Frc consts  --      5.9133                 6.2839                 6.7313
 IR Inten    --     13.8798                14.6566                14.6600
 RamAct Fr= 1--     67.6371                68.2045                56.6078
  Dep-P Fr= 1--      0.0003                 0.0549                 0.1637
  Dep-U Fr= 1--      0.0007                 0.1041                 0.2814
 Alpha2 Fr= 1--      1.5019                 1.3315                 0.8450
 Beta2  Fr= 1--      0.0076                 1.1839                 2.6546
 AlphaG Fr= 1--     -0.0002                -0.0002                -0.0015
 Gamma2 Fr= 1--     -0.0041                -0.3064                 0.5773
 Delta2 Fr= 1--     -0.0040                -0.2899                 0.5436
 Raman1 Fr= 1--     270.548                272.818                226.431
 ROA1   Fr= 1--      -0.527                -38.689                 72.819
 CID1   Fr= 1--      -0.002                 -0.142                  0.322
 Raman2 Fr= 1--       0.091                 14.206                 31.855
 ROA2   Fr= 1--      -0.067                 -5.034                  9.507
 CID2   Fr= 1--      -0.739                 -0.354                  0.298
 Raman3 Fr= 1--       0.182                 28.413                 63.710
 ROA3   Fr= 1--      -0.527                -38.689                 72.819
 CID3   Fr= 1--      -2.893                 -1.362                  1.143
 RC180  Fr= 1--      -0.999                 -0.792                 -0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.08  -0.13  -0.05
     3   6    -0.07  -0.07  -0.05    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.00    -0.02  -0.12   0.05    -0.00  -0.00   0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.04   0.06
     7   1     0.01  -0.02  -0.00     0.02  -0.04  -0.01    -0.47   0.82   0.26
     8   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.05  -0.05  -0.03
     9   1     0.21  -0.25   0.47     0.02  -0.01   0.03     0.01  -0.01   0.02
    10   1     0.44   0.13  -0.35     0.02   0.01  -0.02     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01     0.01  -0.01  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.02  -0.03  -0.01    -0.33   0.59   0.17    -0.01   0.02   0.00
    16   1    -0.03  -0.01   0.02     0.52   0.15  -0.44     0.03   0.01  -0.03
    17   1     0.00   0.01  -0.00    -0.07  -0.06  -0.05    -0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2282.9695              2284.5432              2286.1115
 Red. masses --      2.3778                 2.3767                 2.3749
 Frc consts  --      7.3016                 7.3085                 7.3129
 IR Inten    --      0.0024                16.3845                33.7940
 RamAct Fr= 1--      5.2100                33.1228                61.2985
  Dep-P Fr= 1--      0.7500                 0.7488                 0.7491
  Dep-U Fr= 1--      0.8571                 0.8564                 0.8566
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0009
 Beta2  Fr= 1--      0.7443                 4.7276                 8.7509
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0715                -0.2436                -0.0961
 Delta2 Fr= 1--      0.0821                -0.2335                -0.1079
 Raman1 Fr= 1--      20.840                132.491                245.194
 ROA1   Fr= 1--       9.488                -30.860                -12.676
 CID1   Fr= 1--       0.455                 -0.233                 -0.052
 Raman2 Fr= 1--       8.931                 56.731                105.011
 ROA2   Fr= 1--       1.058                 -3.980                 -1.443
 CID2   Fr= 1--       0.119                 -0.070                 -0.014
 Raman3 Fr= 1--      17.863                113.463                210.022
 ROA3   Fr= 1--       9.488                -30.860                -12.676
 CID3   Fr= 1--       0.531                 -0.272                 -0.060
 RC180  Fr= 1--       0.714                  0.713                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.10  -0.05  -0.07    -0.03   0.13  -0.14     0.10  -0.05  -0.07
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.10   0.05   0.07     0.00   0.00   0.00     0.10  -0.05  -0.07
     6   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.02   0.01
     8   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00   0.00  -0.01     0.29  -0.34   0.66    -0.00   0.00  -0.01
    10   1    -0.37  -0.11   0.30    -0.31  -0.09   0.25    -0.37  -0.11   0.29
    11   1    -0.23   0.42   0.13     0.18  -0.33  -0.11    -0.22   0.42   0.13
    12   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    15   1     0.23  -0.41  -0.12     0.00  -0.00  -0.00    -0.23   0.42   0.12
    16   1     0.36   0.11  -0.31    -0.00  -0.00   0.01    -0.37  -0.11   0.31
    17   1    -0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.1647              3044.2291              3064.2489
 Red. masses --      1.0345                 1.0603                 1.0829
 Frc consts  --      5.5634                 5.7895                 5.9910
 IR Inten    --     27.2727                29.0930                25.1897
 RamAct Fr= 1--    130.0706               127.7565               107.3271
  Dep-P Fr= 1--      0.0010                 0.0650                 0.1588
  Dep-U Fr= 1--      0.0020                 0.1221                 0.2741
 Alpha2 Fr= 1--      2.8839                 2.4346                 1.6222
 Beta2  Fr= 1--      0.0424                 2.6001                 4.9038
 AlphaG Fr= 1--     -0.0004                 0.0025                 0.0009
 Gamma2 Fr= 1--      0.0589                -1.9032                 3.4030
 Delta2 Fr= 1--      0.0550                -1.7868                 3.1927
 Raman1 Fr= 1--     520.282                511.026                429.308
 ROA1   Fr= 1--       7.409               -239.888                428.851
 CID1   Fr= 1--       0.014                 -0.469                  0.999
 Raman2 Fr= 1--       0.509                 31.201                 58.846
 ROA2   Fr= 1--       0.973                -31.383                 56.130
 CID2   Fr= 1--       1.913                 -1.006                  0.954
 Raman3 Fr= 1--       1.017                 62.402                117.691
 ROA3   Fr= 1--       7.409               -239.888                428.851
 CID3   Fr= 1--       7.285                 -3.844                  3.644
 RC180  Fr= 1--      -0.996                 -0.756                 -0.452
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.01   0.00     0.02   0.06  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.01   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.05  -0.05  -0.04
     6   1    -0.03   0.03  -0.06     0.25  -0.30   0.58    -0.04   0.06  -0.10
     7   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
     8   1     0.05   0.04   0.03    -0.46  -0.42  -0.32     0.02   0.02   0.01
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.21  -0.25   0.47     0.02  -0.02   0.04    -0.02   0.02  -0.04
    13   1    -0.37  -0.35  -0.26    -0.03  -0.03  -0.02    -0.04  -0.03  -0.03
    14   1     0.43   0.12  -0.35     0.06   0.01  -0.05    -0.07  -0.02   0.06
    15   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    17   1     0.02   0.02   0.02     0.07   0.07   0.05     0.63   0.59   0.46
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3080.7842              3083.7833              3086.5156
 Red. masses --      1.1024                 1.1015                 1.1011
 Frc consts  --      6.1648                 6.1719                 6.1804
 IR Inten    --      0.0055                37.1094                76.3116
 RamAct Fr= 1--     10.3037                64.8639               117.7678
  Dep-P Fr= 1--      0.7499                 0.7380                 0.7420
  Dep-U Fr= 1--      0.8571                 0.8493                 0.8519
 Alpha2 Fr= 1--      0.0000                 0.0133                 0.0159
 Beta2  Fr= 1--      1.4719                 9.1810                16.7215
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0002
 Gamma2 Fr= 1--      0.1176                -0.1307                -1.5515
 Delta2 Fr= 1--      0.1248                -0.1350                -1.4376
 Raman1 Fr= 1--      41.215                259.456                471.071
 ROA1   Fr= 1--      15.285                -16.870               -194.948
 CID1   Fr= 1--       0.371                 -0.065                 -0.414
 Raman2 Fr= 1--      17.663                110.172                200.658
 ROA2   Fr= 1--       1.824                 -2.058                -25.736
 CID2   Fr= 1--       0.103                 -0.019                 -0.128
 Raman3 Fr= 1--      35.325                220.344                401.317
 ROA3   Fr= 1--      15.285                -16.870               -194.948
 CID3   Fr= 1--       0.433                 -0.077                 -0.486
 RC180  Fr= 1--       0.714                  0.699                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.04  -0.01  -0.05     0.00  -0.00   0.00    -0.04  -0.01  -0.05
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.04   0.01   0.05    -0.06  -0.05   0.06    -0.04  -0.01  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
     6   1     0.17  -0.23   0.41    -0.02   0.02  -0.04     0.16  -0.22   0.41
     7   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     8   1     0.32   0.31   0.21    -0.00  -0.01  -0.00     0.33   0.31   0.21
     9   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.18   0.23  -0.41    -0.18   0.19  -0.35     0.16  -0.22   0.38
    13   1    -0.32  -0.32  -0.22     0.23   0.23   0.19     0.32   0.33   0.23
    14   1     0.01   0.00   0.01     0.61   0.15  -0.50     0.02   0.01  -0.04
    15   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    16   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.04   0.04   0.03     0.07   0.06   0.05

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   2.01410
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   2.01410
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   465.12813 472.15443 479.04735
           X            0.69946  -0.40291  -0.59027
           Y            0.27286  -0.61281   0.74163
           Z            0.66053   0.67980   0.31870
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.18622     0.18344     0.18080
 Rotational constants (GHZ):           3.88009     3.82235     3.76735
 Zero-point vibrational energy     366685.4 (Joules/Mol)
                                   87.63992 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    231.25   300.59   330.26   379.67   429.58
          (Kelvin)            442.90   523.71   553.50   570.70   992.03
                             1080.79  1106.00  1123.84  1196.18  1261.26
                             1333.01  1413.14  1478.86  1551.00  1551.57
                             1561.41  1581.24  1717.10  1768.35  1783.24
                             1889.97  1906.10  1910.02  1935.30  2031.64
                             2123.29  2156.30  2156.82  3122.16  3175.25
                             3229.61  3284.68  3286.95  3289.20  4346.78
                             4379.97  4408.77  4432.56  4436.88  4440.81
 
 Zero-point correction=                           0.139663 (Hartree/Particle)
 Thermal correction to Energy=                    0.147315
 Thermal correction to Enthalpy=                  0.148259
 Thermal correction to Gibbs Free Energy=         0.109603
 Sum of electronic and zero-point Energies=           -197.732194
 Sum of electronic and thermal Energies=              -197.724542
 Sum of electronic and thermal Enthalpies=            -197.723598
 Sum of electronic and thermal Free Energies=         -197.762254
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.040             81.358
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.156
 Vibrational             90.664             23.078             16.219
 Vibration     1          0.622              1.891              2.541
 Vibration     2          0.642              1.827              2.053
 Vibration     3          0.652              1.796              1.883
 Vibration     4          0.670              1.739              1.636
 Vibration     5          0.692              1.676              1.425
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.738              1.546              1.105
 Vibration     8          0.754              1.503              1.021
 Vibration     9          0.763              1.477              0.975
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385467D-50        -50.414013       -116.082555
 Total V=0       0.670648D+14         13.826494         31.836680
 Vib (Bot)       0.122301D-62        -62.912570       -144.861546
 Vib (Bot)    1  0.125754D+01          0.099521          0.229156
 Vib (Bot)    2  0.951093D+00         -0.021777         -0.050143
 Vib (Bot)    3  0.858226D+00         -0.066398         -0.152888
 Vib (Bot)    4  0.734642D+00         -0.133924         -0.308372
 Vib (Bot)    5  0.637466D+00         -0.195543         -0.450254
 Vib (Bot)    6  0.615049D+00         -0.211091         -0.486054
 Vib (Bot)    7  0.502209D+00         -0.299116         -0.688739
 Vib (Bot)    8  0.468437D+00         -0.329349         -0.758354
 Vib (Bot)    9  0.450448D+00         -0.346355         -0.797512
 Vib (V=0)       0.212783D+02          1.327938          3.057689
 Vib (V=0)    1  0.185329D+01          0.267944          0.616964
 Vib (V=0)    2  0.157451D+01          0.197146          0.453946
 Vib (V=0)    3  0.149325D+01          0.174133          0.400957
 Vib (V=0)    4  0.138865D+01          0.142593          0.328332
 Vib (V=0)    5  0.131016D+01          0.117325          0.270151
 Vib (V=0)    6  0.129264D+01          0.111479          0.256690
 Vib (V=0)    7  0.120867D+01          0.082308          0.189521
 Vib (V=0)    8  0.118515D+01          0.073774          0.169871
 Vib (V=0)    9  0.117298D+01          0.069291          0.159549
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116108D+06          5.064863         11.662278
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 11111  111 1111 1                                          
   000000                            2222 21                          444 43333  221 0000 0 9 9 8 8 777 6           33332 222 1      
   888642                            8884 07                          997 14221  329 9877 2 8 2 7 3 865 8           98609 630 6      
   741441                            6535 70                          996 25854  993 9588 8 2 6 7 1 191 9           75489 409 1      
 
   XX XXX                            XX X XX                          XXX XXXXX  XXX XXXX X   X X X  XX                              
   XX XXX                            XX X XX                          X      X   X                                                   
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX X XX                                                                                         
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  X                             X                                                                                               
   XX                                X                                                                                               
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.649487D+02  0.238794D-02  0.507750D-02
      2   0.238794D-02  0.649450D+02  0.474135D-02
      3   0.507750D-02  0.474135D-02  0.649621D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.235388D-02 -0.402570D-02 -0.296612D-02
      2   0.446256D-03 -0.157889D-02  0.130004D-01
      3  -0.582297D-02 -0.588463D-02 -0.783142D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.409237D+00  0.197116D-01  0.147110D+01
      2   0.187931D+01 -0.115702D+01 -0.535752D+00
      3  -0.147007D+01  0.113731D+01 -0.935345D+00
      4   0.225406D-01  0.189975D+01  0.199648D+01
      5   0.148254D+01  0.199965D+01 -0.143844D+01
      6   0.200575D+01 -0.531399D+00  0.113832D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.934253D+00  0.586258D-01  0.355348D+01  0.785700D-01  0.448617D+01
      2   0.586258D-01  0.447746D+01  0.475007D+01  0.448617D+01 -0.273494D+01
      3   0.355348D+01  0.475007D+01 -0.344904D+01  0.476315D+01 -0.130871D+01
                 6             7             8             9            10 
      1   0.476315D+01  0.349522D+01  0.477167D+01 -0.351945D+01 -0.726597D+00
      2  -0.130871D+01  0.477167D+01 -0.133950D+01  0.269205D+01 -0.721039D-01
      3   0.274401D+01 -0.351945D+01  0.269205D+01 -0.229035D+01 -0.256350D+01
                11            12            13            14            15 
      1  -0.721039D-01 -0.256350D+01  0.106747D+00 -0.434631D+01 -0.380125D+01
      2  -0.361272D+01 -0.381431D+01 -0.434631D+01  0.142023D+01  0.177540D+01
      3  -0.381431D+01  0.297364D+01 -0.380125D+01  0.177540D+01 -0.197986D+01
                16            17            18            19            20 
      1  -0.319523D+01 -0.378612D+01  0.225131D+01  0.215970D+01  0.254430D+00
      2  -0.378612D+01  0.114080D+01 -0.214786D+01  0.254430D+00 -0.369638D+01
      3   0.225131D+01 -0.214786D+01  0.309902D+01 -0.247621D+01 -0.399982D+01
                21            22            23            24            25 
      1  -0.247621D+01 -0.357197D+00 -0.302494D+01 -0.399881D+01 -0.286679D+01
      2  -0.399982D+01 -0.302494D+01  0.349401D+01  0.123793D+01 -0.394738D+01
      3   0.260774D+01 -0.399881D+01  0.123793D+01 -0.210234D+01  0.325217D+01
                26            27            28            29            30 
      1  -0.394738D+01  0.325217D+01  0.198135D+01 -0.800056D+00 -0.289716D+01
      2   0.776523D+00 -0.145415D+01 -0.800056D+00 -0.390147D+01 -0.381440D+01
      3  -0.145415D+01  0.291301D+01 -0.289716D+01 -0.381440D+01  0.276998D+01
                31            32            33            34            35 
      1   0.172582D-01 -0.344380D+01 -0.382034D+01 -0.259692D+01 -0.381717D+01
      2  -0.344380D+01  0.710984D+00  0.103033D+01 -0.381717D+01  0.130705D+01
      3  -0.382034D+01  0.103033D+01 -0.226931D+01  0.321495D+01 -0.305607D+01
                36            37            38            39            40 
      1   0.321495D+01 -0.325590D+00  0.433290D+00 -0.357901D+01 -0.167515D-01
      2  -0.305607D+01  0.433290D+00 -0.339619D+01 -0.388092D+01 -0.373680D+01
      3   0.975629D+00 -0.357901D+01 -0.388092D+01  0.300155D+01 -0.390156D+01
                41            42            43            44            45 
      1  -0.373680D+01 -0.390156D+01 -0.270744D+01 -0.386454D+01  0.268462D+01
      2   0.325511D+01  0.220434D+00 -0.386454D+01  0.102187D+01 -0.207783D+01
      3   0.220434D+00 -0.255470D+01  0.268462D+01 -0.207783D+01  0.383474D+00
                46            47            48            49            50 
      1  -0.773177D+00  0.432482D+00 -0.606082D+00  0.719763D+00  0.246921D+00
      2   0.432482D+00 -0.526178D+00  0.974299D+00  0.246921D+00  0.184013D+01
      3  -0.606082D+00  0.974299D+00 -0.215190D+01  0.348748D+00 -0.204933D+01
                51            52            53            54            55 
      1   0.348748D+00 -0.105229D+01  0.387362D+00 -0.354878D+00  0.318259D+01
      2  -0.204933D+01  0.387362D+00 -0.204906D+01  0.248211D+01 -0.180265D+01
      3   0.276739D+01 -0.354878D+00  0.248211D+01 -0.697990D+01 -0.102073D+01
                56            57            58            59            60 
      1  -0.180265D+01 -0.102073D+01 -0.322954D+01  0.272186D+01  0.172393D+01
      2   0.210507D+01  0.103378D+01  0.272186D+01 -0.441814D+01 -0.165917D+01
      3   0.103378D+01  0.881064D+00  0.172393D+01 -0.165917D+01 -0.192171D+01
                61            62            63            64            65 
      1  -0.698974D+00  0.956936D+00  0.899192D+00  0.491664D+01  0.237688D+01
      2   0.956936D+00 -0.109135D+01 -0.916278D+00  0.237688D+01  0.242314D+01
      3   0.899192D+00 -0.916278D+00 -0.167715D+01  0.823535D+00  0.694434D+00
                66            67            68            69            70 
      1   0.823535D+00  0.304729D+01  0.276426D+01  0.632528D+00  0.240166D+01
      2   0.694434D+00  0.276426D+01  0.307820D+01  0.369465D+00  0.134821D+01
      3   0.826352D+00  0.632528D+00  0.369465D+00  0.121644D+01  0.739800D+00
                71            72            73            74            75 
      1   0.134821D+01  0.739800D+00 -0.226912D+01  0.319389D+00 -0.161465D+01
      2   0.126891D+01  0.947959D+00  0.319389D+00 -0.270806D+00  0.631868D+00
      3   0.947959D+00  0.955124D+00 -0.161465D+01  0.631868D+00 -0.221791D+01
                76            77            78            79            80 
      1   0.134676D+01 -0.297365D+00  0.133921D+01 -0.217728D+01  0.556746D+00
      2  -0.297365D+00  0.884383D+00 -0.114009D+01  0.556746D+00 -0.143337D+01
      3   0.133921D+01 -0.114009D+01  0.231915D+01 -0.285118D+01  0.857172D+00
                81            82            83            84            85 
      1  -0.285118D+01 -0.604372D+01 -0.188673D+01  0.188075D+01 -0.121403D+01
      2   0.857172D+00 -0.188673D+01 -0.139695D+01  0.834987D+00 -0.106111D+01
      3  -0.632023D+01  0.188075D+01  0.834987D+00 -0.190699D+01  0.775177D+00
                86            87            88            89            90 
      1  -0.106111D+01  0.775177D+00  0.343750D+01  0.147852D+01 -0.197821D+01
      2  -0.151081D+01  0.483315D+00  0.147852D+01  0.137719D+01 -0.580809D+00
      3   0.483315D+00 -0.312867D+00 -0.197821D+01 -0.580809D+00  0.191531D+01
                91            92            93            94            95 
      1   0.111167D+01 -0.115812D+01 -0.192560D+00 -0.142083D+01  0.113179D+01
      2  -0.115812D+01  0.296195D+01  0.117771D+01  0.113179D+01 -0.732837D+01
      3  -0.192560D+00  0.117771D+01  0.810205D+00  0.531326D+00 -0.211437D+01
                96            97            98            99           100 
      1   0.531326D+00 -0.170687D+00  0.567662D+00  0.285922D-01 -0.200819D+01
      2  -0.211437D+01  0.567662D+00 -0.164683D+01 -0.133276D+01  0.138424D+01
      3  -0.160359D+01  0.285922D-01 -0.133276D+01 -0.148036D+01 -0.972441D+00
               101           102           103           104           105 
      1   0.138424D+01 -0.972441D+00  0.113001D+01 -0.101330D+01  0.105773D+01
      2  -0.109077D+01  0.110565D+01 -0.101330D+01  0.298440D+01 -0.175513D+01
      3   0.110565D+01 -0.150274D+01  0.105773D+01 -0.175513D+01  0.180411D+01
               106           107           108           109           110 
      1  -0.187043D+01  0.176190D+01 -0.184889D+01  0.210724D+01  0.167796D+01
      2   0.176190D+01 -0.332040D+01  0.245277D+01  0.167796D+01  0.355780D+01
      3  -0.184889D+01  0.245277D+01 -0.406357D+01  0.122729D+01  0.159440D+01
               111           112           113           114           115 
      1   0.122729D+01  0.142511D+01  0.173879D+01  0.960312D+00  0.123290D+01
      2   0.159440D+01  0.173879D+01  0.476074D+01  0.176488D+01  0.992097D+00
      3   0.135967D+01  0.960312D+00  0.176488D+01  0.175388D+01  0.579794D+00
               116           117           118           119           120 
      1   0.992097D+00  0.579794D+00 -0.543082D+01  0.590688D+00  0.290951D+01
      2   0.219288D+01  0.202226D+01  0.590688D+00 -0.968039D+00  0.122662D-01
      3   0.202226D+01  0.200598D+01  0.290951D+01  0.122662D-01 -0.277597D+01
               121           122           123           124           125 
      1  -0.845032D+00 -0.333550D+00  0.700851D+00  0.318130D+01 -0.655101D-01
      2  -0.333550D+00 -0.389973D+00  0.417801D+00 -0.655101D-01  0.974462D+00
      3   0.700851D+00  0.417801D+00 -0.418963D+00 -0.273113D+01  0.593075D+00
               126           127           128           129           130 
      1  -0.273113D+01  0.241103D+01 -0.210649D+01  0.452999D+00 -0.237172D+01
      2   0.593075D+00 -0.210649D+01  0.285176D+01  0.138463D+00  0.293921D+01
      3   0.324775D+01  0.452999D+00  0.138463D+00  0.520606D+00  0.697910D-01
               131           132           133           134           135 
      1   0.293921D+01  0.697910D-01 -0.437948D+00  0.788351D+00  0.180525D+00
      2  -0.659912D+01  0.369645D+00  0.788351D+00 -0.120525D+01 -0.540231D+00
      3   0.369645D+00 -0.120949D+01  0.180525D+00 -0.540231D+00 -0.497004D+00
               136           137           138           139           140 
      1  -0.316234D+01 -0.916007D+00  0.251927D+01 -0.644813D+00 -0.445905D+00
      2  -0.916007D+00 -0.122668D+01  0.148854D+01 -0.445905D+00 -0.131919D+01
      3   0.251927D+01  0.148854D+01 -0.403306D+01  0.842154D+00  0.112888D+01
               141           142           143           144           145 
      1   0.842154D+00  0.205364D+01  0.875295D+00 -0.218883D+01  0.380359D+01
      2   0.112888D+01  0.875295D+00  0.110332D+01 -0.113729D+01  0.121418D+01
      3  -0.882328D+00 -0.218883D+01 -0.113729D+01  0.476602D+01  0.255553D+01
               146           147           148           149           150 
      1   0.121418D+01  0.255553D+01  0.222841D+01  0.167407D+01  0.177705D+01
      2   0.170900D+01  0.107298D+01  0.167407D+01  0.187237D+01  0.122871D+01
      3   0.107298D+01  0.228679D+01  0.177705D+01  0.122871D+01  0.265017D+01
               151           152           153 
      1   0.197178D+01  0.995962D+00  0.164161D+01
      2   0.995962D+00  0.922755D+00  0.119589D+01
      3   0.164161D+01  0.119589D+01  0.304724D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.917319D-02  0.130109D-02  0.600779D-02  0.118342D-01 -0.132736D-01
      2  -0.837943D-02  0.143767D-02  0.478289D+01  0.155882D-02  0.463264D-03
      3  -0.326956D-01 -0.478079D+01 -0.131780D-01  0.476823D+01 -0.224391D-01
                 6             7             8             9            10 
      1  -0.478689D+01  0.174401D-01  0.476472D+01 -0.267567D-02  0.106932D+01
      2   0.479712D-02 -0.475990D+01 -0.109705D-01  0.101903D-01 -0.615645D+01
      3  -0.120522D-01  0.466324D-02 -0.773534D-02 -0.630238D-02 -0.809234D+00
                11            12            13            14            15 
      1   0.611279D+01  0.334260D+01  0.755249D+01 -0.173539D+01 -0.390960D+01
      2  -0.559990D+01  0.314577D+01 -0.523063D+01 -0.245103D+01 -0.714923D+01
      3   0.378313D+01  0.453658D+01  0.909507D+01 -0.296747D+01 -0.510889D+01
                16            17            18            19            20 
      1   0.382594D+01  0.887499D+00  0.685236D+00 -0.294358D+01 -0.180440D+01
      2  -0.324536D+01 -0.757548D+01  0.857342D+01  0.574057D+01  0.555711D+01
      3   0.410843D+01 -0.360746D+01  0.375862D+01 -0.364847D+01 -0.672487D+01
                21            22            23            24            25 
      1   0.666578D+01 -0.273014D+01 -0.254322D+01 -0.507347D+01  0.786185D+01
      2  -0.334704D+01  0.468091D+01 -0.390448D+01 -0.133696D+01 -0.866600D+01
      3  -0.261345D+01 -0.780179D+00  0.897422D+01  0.663742D+01 -0.173135D+01
                26            27            28            29            30 
      1   0.238529D+00  0.549156D+01  0.405594D+01  0.420163D+01 -0.646969D+01
      2  -0.257868D+01 -0.189667D+01  0.109333D+01  0.415218D+01  0.529704D+00
      3   0.566464D+01 -0.528343D+01  0.389223D+01 -0.784876D+01 -0.821094D+01
                31            32            33            34            35 
      1   0.457267D+01 -0.207780D+01  0.299368D+01 -0.766511D+01  0.877966D+01
      2   0.349895D+01  0.684579D+00  0.418062D+01 -0.380254D+01  0.536743D+01
      3  -0.154747D+01 -0.622830D+01 -0.526307D+01 -0.745214D+01 -0.485633D+01
                36            37            38            39            40 
      1  -0.201792D+01 -0.217112D+01 -0.848754D+01 -0.354678D+01 -0.937336D+01
      2  -0.180052D+01 -0.695327D+00 -0.412154D+01  0.105500D+02 -0.300424D+01
      3   0.230253D+01  0.585751D+00 -0.171591D+00  0.629538D+01  0.424826D+01
                41            42            43            44            45 
      1   0.641770D+01 -0.490209D+01 -0.399284D+01  0.124378D+01 -0.421487D+01
      2   0.566223D+01  0.432124D+01  0.455098D+01  0.478163D+01 -0.490254D+01
      3   0.205843D+00  0.370989D+01  0.512793D+01  0.277516D+01 -0.791485D+00
                46            47            48            49            50 
      1  -0.300245D+00  0.913717D+00  0.132674D+00 -0.346270D+00 -0.214248D+01
      2  -0.269385D+01  0.161773D+01 -0.217082D+01  0.264339D+01 -0.230742D+01
      3  -0.136582D+01 -0.465056D-01 -0.132272D+01  0.143927D+01 -0.193322D+01
                51            52            53            54            55 
      1  -0.152921D+00 -0.377644D+00  0.395785D+01  0.711816D+00  0.239482D+01
      2   0.419986D+01 -0.494893D+01  0.398466D+01 -0.935955D+01  0.240699D+01
      3   0.264358D+01 -0.215420D+01  0.275083D+01 -0.361392D+01  0.257074D+01
                56            57            58            59            60 
      1  -0.358273D+01 -0.734232D+00 -0.328262D+01  0.653711D+01 -0.152068D-01
      2  -0.554071D+00  0.161607D+01 -0.198184D+01  0.864886D+00 -0.192608D+01
      3  -0.541264D+01 -0.183378D+01 -0.221613D+01  0.850591D+01  0.242407D+01
                61            62            63            64            65 
      1  -0.146762D+01  0.268731D+01  0.956953D+00 -0.302436D+01 -0.279291D+01
      2  -0.820842D+00  0.195854D-01 -0.149679D+01  0.590285D+01  0.384947D+01
      3  -0.134470D+01  0.252003D+01  0.145421D+01 -0.406638D+00 -0.455570D+01
                66            67            68            69            70 
      1  -0.235759D+01 -0.307242D+01 -0.294652D+01 -0.290374D+01 -0.154518D+01
      2   0.444428D+01  0.394291D+01  0.356633D+01  0.400910D+01  0.207656D+01
      3  -0.832382D+00 -0.719827D+00 -0.407053D+01 -0.479900D+00 -0.129550D+00
                71            72            73            74            75 
      1  -0.763151D+00 -0.218129D+01 -0.195759D+01  0.188087D+01 -0.311097D+01
      2   0.264753D+01  0.312641D+01 -0.750714D+00 -0.562231D+00  0.273835D+01
      3  -0.199306D+01 -0.111062D+01  0.233135D+01 -0.198031D+01  0.251471D+01
                76            77            78            79            80 
      1   0.131389D+01 -0.304386D+01  0.228421D+01 -0.341896D+01  0.520547D+01
      2   0.580231D+00  0.118303D+01 -0.202154D+01 -0.109141D+01 -0.865655D+00
      3  -0.427793D+00  0.198922D+01 -0.249310D+01  0.253068D+01 -0.365388D+01
                81            82            83            84            85 
      1  -0.704488D+01  0.370630D+01  0.116318D+01 -0.382256D+01  0.167633D+01
      2   0.580260D+01 -0.604535D+01 -0.234988D+01  0.665117D+01 -0.195688D+01
      3   0.428794D+01  0.494712D+01 -0.195073D+01 -0.134826D+01  0.138871D+01
                86            87            88            89            90 
      1   0.121983D+01 -0.171856D+01 -0.306706D+01  0.178488D-01  0.321237D+01
      2  -0.125714D+01  0.160510D+01  0.334137D+01  0.141630D+01 -0.526035D+01
      3  -0.101096D+01 -0.429940D+00 -0.252438D+01  0.132137D+01  0.165569D+01
                91            92            93            94            95 
      1   0.811153D+00 -0.139098D+01  0.100274D+01 -0.536774D+00  0.418692D+01
      2   0.163751D+01 -0.200073D+01  0.165656D+00 -0.278342D+01  0.348539D+01
      3  -0.387298D+01  0.321424D+01  0.118876D+01  0.628455D+01 -0.902022D+01
                96            97            98            99           100 
      1  -0.276486D+01 -0.467464D+00  0.108857D+01 -0.110367D+01  0.190452D+01
      2   0.169391D+01 -0.121132D+01  0.179590D+01  0.127382D+01  0.861420D+00
      3  -0.294516D+01  0.157859D+01 -0.268107D+01 -0.133680D+01 -0.218897D+01
               101           102           103           104           105 
      1  -0.170403D+01  0.372451D+01 -0.223450D+01  0.303126D+01 -0.537720D+01
      2  -0.147081D+01  0.300822D+01 -0.756959D+00  0.196607D+01 -0.280322D+01
      3  -0.202875D+00 -0.421300D+00  0.238852D+01  0.133972D+01  0.278206D+00
               106           107           108           109           110 
      1   0.328222D+01 -0.244657D+01  0.875719D+01 -0.119752D+01  0.389436D-02
      2   0.127563D+00 -0.248795D+01  0.532309D+01 -0.286280D+01 -0.186345D+01
      3  -0.248781D+01 -0.103068D+01 -0.794869D+00  0.607407D+01  0.336847D+01
               111           112           113           114           115 
      1  -0.248974D+01 -0.857168D+00  0.132929D+00 -0.391008D+01 -0.492211D+00
      2  -0.202045D+00 -0.246075D+01 -0.233761D+01 -0.130692D+01 -0.246118D+01
      3   0.305866D+01  0.609272D+01  0.572316D+01  0.319131D+01  0.399002D+01
               116           117           118           119           120 
      1  -0.535667D+00 -0.273376D+01 -0.424901D+01 -0.199775D+01  0.451740D+01
      2  -0.191221D+01 -0.120799D+01  0.111741D+01 -0.345243D+00  0.334520D+01
      3   0.292303D+01  0.241056D+01 -0.748835D+01 -0.276068D+01  0.458754D+01
               121           122           123           124           125 
      1  -0.938503D+00 -0.123440D+01 -0.680956D-01  0.398827D+01  0.173637D+01
      2   0.101496D+00 -0.226821D+00  0.350966D+00 -0.881921D+00 -0.373054D+00
      3  -0.420465D+00 -0.140203D+01  0.116571D+01  0.505217D+01  0.237314D+01
               126           127           128           129           130 
      1  -0.438180D+01 -0.261292D+01  0.464005D+01  0.193110D+01  0.442934D+01
      2  -0.261225D+01 -0.287463D+01  0.306676D+01  0.131684D+01  0.359270D+01
      3  -0.362291D+01 -0.152114D+01 -0.167861D+01 -0.463494D+00  0.253649D+01
               131           132           133           134           135 
      1  -0.922430D+01 -0.373808D+01  0.100128D+01 -0.108743D+01 -0.191736D+01
      2  -0.424850D+01 -0.233154D+01 -0.189698D+00 -0.124765D+01 -0.103606D+01
      3   0.294556D+01 -0.188681D+00  0.336266D+00  0.399880D+00  0.251683D+00
               136           137           138           139           140 
      1   0.685731D+00 -0.200935D+01 -0.145788D+01  0.147569D+00 -0.136891D+01
      2   0.801621D+01  0.192561D+01 -0.386511D+01  0.214647D+01  0.115011D+01
      3   0.377488D+01 -0.507450D+00 -0.261138D+01  0.173303D+01  0.631015D+00
               141           142           143           144           145 
      1  -0.261650D+00 -0.457017D+00  0.269736D+01  0.236386D+01  0.381937D+01
      2  -0.175963D+01 -0.696259D+01 -0.207312D+01  0.524253D+01 -0.468586D+01
      3  -0.128996D+01 -0.296769D+01 -0.512045D+00  0.253001D+01 -0.284274D+01
               146           147           148           149           150 
      1   0.485226D+01  0.266666D+01  0.366468D+01  0.480325D+01  0.182257D+01
      2  -0.130129D+01 -0.227127D+00 -0.301387D+01 -0.183009D+01  0.269523D+00
      3  -0.421868D+01 -0.251169D+01 -0.138485D+01 -0.365890D+01 -0.183675D+01
               151           152           153 
      1   0.297500D+01  0.400218D+01  0.342021D+01
      2  -0.353294D+01 -0.888864D+00  0.217987D+00
      3  -0.193694D+01 -0.238583D+01 -0.209090D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.438188D+01 -0.294644D+01  0.268766D+01 -0.298411D+01 -0.172399D+01
      2  -0.179985D+01  0.315167D+01 -0.132473D+01  0.317182D+01  0.156946D+01
      3  -0.258203D+01 -0.205229D+00 -0.136292D+01 -0.187711D+00  0.154530D+00
      4  -0.305440D+01 -0.245498D+01 -0.884255D+00 -0.248587D+01  0.320248D+01
      5   0.277115D+01 -0.845945D+00 -0.325712D+01 -0.851423D+00 -0.129373D+01
      6  -0.881899D+00 -0.126551D+01 -0.291649D+00 -0.129688D+01 -0.376394D+01
                 6             7             8             9            10 
      1  -0.872798D+00  0.275308D+01 -0.833639D+00 -0.256209D+01 -0.513902D+01
      2  -0.374448D+01 -0.125999D+01 -0.379771D+01  0.194142D+00 -0.391679D+01
      3   0.461727D+01 -0.149309D+01  0.463135D+01  0.236795D+01  0.905581D+01
      4  -0.131400D+01 -0.864436D+00 -0.121816D+01 -0.157804D+00 -0.131924D+01
      5  -0.161724D+00 -0.331002D+01 -0.157044D+00 -0.144600D+01 -0.593268D+01
      6  -0.575262D+00 -0.154486D+00 -0.551552D+00  0.460663D+01 -0.404107D+01
                11            12            13            14            15 
      1  -0.430819D+01 -0.178483D+01 -0.433943D+01 -0.811484D+01 -0.138777D+02
      2  -0.605177D+01  0.367551D+01 -0.513545D+01  0.498513D+01  0.155455D+01
      3   0.103600D+02 -0.189068D+01  0.947488D+01  0.312971D+01  0.123231D+02
      4  -0.121293D+02 -0.974981D+01 -0.134943D+02  0.251019D+01  0.172641D+01
      5  -0.844319D+01  0.620138D+01 -0.941139D+01  0.667235D+01  0.305647D+01
      6   0.391032D+01  0.868519D+01  0.476065D+01 -0.385177D+01 -0.696228D+01
                16            17            18            19            20 
      1  -0.290989D+01 -0.140323D+02  0.134932D+02 -0.821437D+01 -0.912708D+01
      2   0.310295D+01  0.214270D+01 -0.143807D+01  0.245258D+01  0.676020D+01
      3  -0.193061D+00  0.118896D+02 -0.120552D+02  0.576179D+01  0.236688D+01
      4  -0.110040D+02  0.177314D+00 -0.976764D+00 -0.361881D+01  0.177731D+01
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                21            22            23            24            25 
      1   0.516048D+01 -0.847976D+01  0.135600D+02  0.891258D+01  0.630528D+01
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      6   0.383424D+00  0.950178D+01 -0.717251D+01 -0.143238D+01 -0.373014D-02
                26            27            28            29            30 
      1   0.955322D+01 -0.521632D+01 -0.303956D+01  0.723188D+01  0.108382D+02
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                31            32            33            34            35 
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                36            37            38            39            40 
      1  -0.213659D+01  0.291726D+01  0.172505D+01 -0.100932D+02  0.172127D+01
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                41            42            43            44            45 
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                46            47            48            49            50 
      1  -0.167372D+01  0.327070D+01 -0.566893D+01  0.284460D+01 -0.586854D+01
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                51            52            53            54            55 
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      6   0.114876D+02 -0.136225D+01  0.114547D+02 -0.151911D+02  0.469393D+01
                56            57            58            59            60 
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                61            62            63            64            65 
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                66            67            68            69            70 
      1   0.387274D+01  0.105804D+02  0.485158D+01  0.297087D+01  0.802468D+01
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      6   0.646363D+00 -0.254342D+01 -0.183293D+01  0.346320D+01  0.517994D+00
                71            72            73            74            75 
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      4   0.539354D+01  0.352569D+01  0.133291D+01  0.279266D+01 -0.517115D+00
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      6   0.217560D+01  0.119289D+01  0.266291D+00  0.413798D+00  0.201049D+01
                76            77            78            79            80 
      1  -0.257379D+01 -0.146526D+01 -0.394796D+00  0.391525D+01 -0.155805D+01
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      4   0.188460D+01 -0.371466D+01  0.254414D+01  0.412665D+00  0.372146D+01
      5  -0.575395D+01  0.303510D+01 -0.685150D+01  0.141930D+02 -0.314939D+01
      6   0.444146D+00 -0.255948D+01  0.321537D+01  0.220542D+01  0.501097D+01
                81            82            83            84            85 
      1  -0.327381D+01  0.252075D+02  0.550460D+01 -0.765804D+01  0.413873D+01
      2  -0.184145D+02 -0.789133D+01  0.149366D+01  0.774402D+00  0.154765D+01
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      4  -0.409525D-02  0.167420D+02  0.104329D+02 -0.574213D+01  0.885528D+01
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      6   0.421479D+01 -0.381090D+01 -0.194208D+01  0.442758D+01 -0.232694D+01
                86            87            88            89            90 
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                91            92            93            94            95 
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                96            97            98            99           100 
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               101           102           103           104           105 
      1  -0.154507D+01  0.968193D+00 -0.116417D+01 -0.528170D+01  0.166607D+01
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               106           107           108           109           110 
      1   0.218015D+01  0.368801D+01 -0.259926D+01 -0.236343D+01 -0.861121D+01
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      4  -0.853967D+01  0.994626D+01 -0.755713D+01  0.898466D+01  0.695068D+01
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      6  -0.590293D+01  0.110748D+02 -0.153622D+02  0.506633D+01  0.834615D+01
               111           112           113           114           115 
      1  -0.538311D+01 -0.591751D+01 -0.152983D+02 -0.752482D+01 -0.440230D+01
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      3   0.134251D+01 -0.185841D+01 -0.774624D+01  0.361070D+00  0.824907D+00
      4   0.369653D+01  0.702866D+01  0.486009D+01  0.288679D+01  0.405617D+01
      5   0.352515D+01  0.137936D+01  0.151377D+01  0.563225D-01  0.409156D+01
      6   0.669799D+01  0.544399D+01  0.123290D+02  0.106343D+02  0.358060D+01
               116           117           118           119           120 
      1  -0.837879D+01 -0.675547D+01  0.181041D+02  0.509997D+00 -0.702000D+01
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      4   0.263897D+01  0.147142D+01 -0.114615D+02  0.626538D+01  0.603595D+01
      5   0.429793D+00  0.115979D+01 -0.153982D+02  0.794746D+00  0.131782D+02
      6   0.114881D+02  0.954701D+01  0.638077D+01 -0.185083D+01 -0.664929D+01
               121           122           123           124           125 
      1   0.280438D+01  0.763963D+00 -0.124774D+01 -0.788346D+01 -0.164972D+01
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      3   0.216137D+00  0.835619D-01 -0.173318D+01 -0.180970D+01 -0.127195D+01
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      6  -0.634745D+00 -0.155712D+00  0.269867D+01 -0.595704D+01  0.501673D+01
               126           127           128           129           130 
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      6   0.674596D+01 -0.383499D+01  0.603292D+01 -0.141478D+01  0.581043D+01
               131           132           133           134           135 
      1  -0.609992D+01  0.244381D+01 -0.108312D+01  0.389675D+00 -0.419723D+00
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      3  -0.165110D+02 -0.382209D+01  0.203649D+01 -0.436713D+01 -0.113521D+01
      4  -0.174468D+02  0.475564D+00  0.230931D+01 -0.255592D+01 -0.156230D+01
      5   0.544503D+01 -0.227292D+01  0.237175D+01 -0.838455D+00 -0.128131D+01
      6  -0.127707D+02  0.625629D+01 -0.410098D+00  0.304001D+01  0.103857D+01
               136           137           138           139           140 
      1  -0.202876D+01 -0.360595D+01  0.906404D+01 -0.234392D+01 -0.346913D+01
      2  -0.413033D+01  0.498506D+00  0.549918D+01 -0.354098D+00  0.237439D+01
      3   0.615909D+01  0.310744D+01 -0.145632D+02  0.269801D+01  0.109474D+01
      4   0.629172D+01  0.427252D+01 -0.380118D+01  0.420124D+01  0.764001D+00
      5  -0.125217D+02 -0.271830D+01  0.106961D+02 -0.195537D+01 -0.194766D+01
      6  -0.494645D+01 -0.673234D+01  0.900396D+01 -0.359495D+01 -0.574853D+01
               141           142           143           144           145 
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      2  -0.105241D+01  0.282671D+01 -0.670491D+00 -0.917065D+01 -0.117063D+02
      3  -0.349885D+01 -0.933551D+01 -0.423175D+01  0.226103D+02  0.208793D+01
      4  -0.215591D+01 -0.335093D+01 -0.181783D+01  0.379542D+01  0.201480D+01
      5   0.283562D+01  0.983237D+01  0.305937D+01 -0.836668D+01  0.157446D+02
      6   0.754064D+01  0.584193D+01  0.774831D+01 -0.106447D+02  0.304364D+01
               146           147           148           149           150 
      1   0.297987D+01  0.257609D+01  0.429735D+01  0.778810D+00 -0.146270D+01
      2  -0.567872D+01 -0.936937D+01 -0.694976D+01 -0.142807D+01 -0.654677D+01
      3   0.269885D+01  0.679328D+01  0.265241D+01  0.649262D+00  0.800948D+01
      4   0.521275D+01  0.679527D+00  0.461120D+01  0.415933D+01  0.204204D+01
      5   0.550534D+01  0.138497D+02  0.897883D+01  0.604017D+01  0.897982D+01
      6   0.562529D+01  0.307514D+01  0.504337D+01  0.768993D+01  0.526266D+01
               151           152           153 
      1   0.242069D+01 -0.161897D+00 -0.259716D+01
      2  -0.782463D+01 -0.407800D+01 -0.104992D+02
      3   0.540394D+01  0.423990D+01  0.130964D+02
      4   0.351129D+00  0.142741D+01  0.190597D+01
      5   0.119158D+02  0.558989D+01  0.111155D+02
      6   0.333011D+01  0.508708D+01  0.327873D+01
 Leave Link  716 at Thu Jan 27 11:54:40 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.649487D+02  0.238794D-02  0.507750D-02
      2   0.238794D-02  0.649450D+02  0.474135D-02
      3   0.507750D-02  0.474135D-02  0.649621D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.235388D-02 -0.402570D-02 -0.296612D-02
      2   0.446256D-03 -0.157889D-02  0.130004D-01
      3  -0.582297D-02 -0.588463D-02 -0.783142D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.409237D+00  0.197116D-01  0.147110D+01
      2   0.187931D+01 -0.115702D+01 -0.535752D+00
      3  -0.147007D+01  0.113731D+01 -0.935345D+00
      4   0.225406D-01  0.189975D+01  0.199648D+01
      5   0.148254D+01  0.199965D+01 -0.143844D+01
      6   0.200575D+01 -0.531399D+00  0.113832D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.934253D+00  0.586258D-01  0.355348D+01  0.785700D-01  0.448617D+01
      2   0.586258D-01  0.447746D+01  0.475007D+01  0.448617D+01 -0.273494D+01
      3   0.355348D+01  0.475007D+01 -0.344904D+01  0.476315D+01 -0.130871D+01
                 6             7             8             9            10 
      1   0.476315D+01  0.349522D+01  0.477167D+01 -0.351945D+01 -0.726597D+00
      2  -0.130871D+01  0.477167D+01 -0.133950D+01  0.269205D+01 -0.721039D-01
      3   0.274401D+01 -0.351945D+01  0.269205D+01 -0.229035D+01 -0.256350D+01
                11            12            13            14            15 
      1  -0.721039D-01 -0.256350D+01  0.106747D+00 -0.434631D+01 -0.380125D+01
      2  -0.361272D+01 -0.381431D+01 -0.434631D+01  0.142023D+01  0.177540D+01
      3  -0.381431D+01  0.297364D+01 -0.380125D+01  0.177540D+01 -0.197986D+01
                16            17            18            19            20 
      1  -0.319523D+01 -0.378612D+01  0.225131D+01  0.215970D+01  0.254430D+00
      2  -0.378612D+01  0.114080D+01 -0.214786D+01  0.254430D+00 -0.369638D+01
      3   0.225131D+01 -0.214786D+01  0.309902D+01 -0.247621D+01 -0.399982D+01
                21            22            23            24            25 
      1  -0.247621D+01 -0.357197D+00 -0.302494D+01 -0.399881D+01 -0.286679D+01
      2  -0.399982D+01 -0.302494D+01  0.349401D+01  0.123793D+01 -0.394738D+01
      3   0.260774D+01 -0.399881D+01  0.123793D+01 -0.210234D+01  0.325217D+01
                26            27            28            29            30 
      1  -0.394738D+01  0.325217D+01  0.198135D+01 -0.800056D+00 -0.289716D+01
      2   0.776523D+00 -0.145415D+01 -0.800056D+00 -0.390147D+01 -0.381440D+01
      3  -0.145415D+01  0.291301D+01 -0.289716D+01 -0.381440D+01  0.276998D+01
                31            32            33            34            35 
      1   0.172582D-01 -0.344380D+01 -0.382034D+01 -0.259692D+01 -0.381717D+01
      2  -0.344380D+01  0.710984D+00  0.103033D+01 -0.381717D+01  0.130705D+01
      3  -0.382034D+01  0.103033D+01 -0.226931D+01  0.321495D+01 -0.305607D+01
                36            37            38            39            40 
      1   0.321495D+01 -0.325590D+00  0.433290D+00 -0.357901D+01 -0.167515D-01
      2  -0.305607D+01  0.433290D+00 -0.339619D+01 -0.388092D+01 -0.373680D+01
      3   0.975629D+00 -0.357901D+01 -0.388092D+01  0.300155D+01 -0.390156D+01
                41            42            43            44            45 
      1  -0.373680D+01 -0.390156D+01 -0.270744D+01 -0.386454D+01  0.268462D+01
      2   0.325511D+01  0.220434D+00 -0.386454D+01  0.102187D+01 -0.207783D+01
      3   0.220434D+00 -0.255470D+01  0.268462D+01 -0.207783D+01  0.383474D+00
                46            47            48            49            50 
      1  -0.773177D+00  0.432482D+00 -0.606082D+00  0.719763D+00  0.246921D+00
      2   0.432482D+00 -0.526178D+00  0.974299D+00  0.246921D+00  0.184013D+01
      3  -0.606082D+00  0.974299D+00 -0.215190D+01  0.348748D+00 -0.204933D+01
                51            52            53            54            55 
      1   0.348748D+00 -0.105229D+01  0.387362D+00 -0.354878D+00  0.318259D+01
      2  -0.204933D+01  0.387362D+00 -0.204906D+01  0.248211D+01 -0.180265D+01
      3   0.276739D+01 -0.354878D+00  0.248211D+01 -0.697990D+01 -0.102073D+01
                56            57            58            59            60 
      1  -0.180265D+01 -0.102073D+01 -0.322954D+01  0.272186D+01  0.172393D+01
      2   0.210507D+01  0.103378D+01  0.272186D+01 -0.441814D+01 -0.165917D+01
      3   0.103378D+01  0.881064D+00  0.172393D+01 -0.165917D+01 -0.192171D+01
                61            62            63            64            65 
      1  -0.698974D+00  0.956936D+00  0.899192D+00  0.491664D+01  0.237688D+01
      2   0.956936D+00 -0.109135D+01 -0.916278D+00  0.237688D+01  0.242314D+01
      3   0.899192D+00 -0.916278D+00 -0.167715D+01  0.823535D+00  0.694434D+00
                66            67            68            69            70 
      1   0.823535D+00  0.304729D+01  0.276426D+01  0.632528D+00  0.240166D+01
      2   0.694434D+00  0.276426D+01  0.307820D+01  0.369465D+00  0.134821D+01
      3   0.826352D+00  0.632528D+00  0.369465D+00  0.121644D+01  0.739800D+00
                71            72            73            74            75 
      1   0.134821D+01  0.739800D+00 -0.226912D+01  0.319389D+00 -0.161465D+01
      2   0.126891D+01  0.947959D+00  0.319389D+00 -0.270806D+00  0.631868D+00
      3   0.947959D+00  0.955124D+00 -0.161465D+01  0.631868D+00 -0.221791D+01
                76            77            78            79            80 
      1   0.134676D+01 -0.297365D+00  0.133921D+01 -0.217728D+01  0.556746D+00
      2  -0.297365D+00  0.884383D+00 -0.114009D+01  0.556746D+00 -0.143337D+01
      3   0.133921D+01 -0.114009D+01  0.231915D+01 -0.285118D+01  0.857172D+00
                81            82            83            84            85 
      1  -0.285118D+01 -0.604372D+01 -0.188673D+01  0.188075D+01 -0.121403D+01
      2   0.857172D+00 -0.188673D+01 -0.139695D+01  0.834987D+00 -0.106111D+01
      3  -0.632023D+01  0.188075D+01  0.834987D+00 -0.190699D+01  0.775177D+00
                86            87            88            89            90 
      1  -0.106111D+01  0.775177D+00  0.343750D+01  0.147852D+01 -0.197821D+01
      2  -0.151081D+01  0.483315D+00  0.147852D+01  0.137719D+01 -0.580809D+00
      3   0.483315D+00 -0.312867D+00 -0.197821D+01 -0.580809D+00  0.191531D+01
                91            92            93            94            95 
      1   0.111167D+01 -0.115812D+01 -0.192560D+00 -0.142083D+01  0.113179D+01
      2  -0.115812D+01  0.296195D+01  0.117771D+01  0.113179D+01 -0.732837D+01
      3  -0.192560D+00  0.117771D+01  0.810205D+00  0.531326D+00 -0.211437D+01
                96            97            98            99           100 
      1   0.531326D+00 -0.170687D+00  0.567662D+00  0.285922D-01 -0.200819D+01
      2  -0.211437D+01  0.567662D+00 -0.164683D+01 -0.133276D+01  0.138424D+01
      3  -0.160359D+01  0.285922D-01 -0.133276D+01 -0.148036D+01 -0.972441D+00
               101           102           103           104           105 
      1   0.138424D+01 -0.972441D+00  0.113001D+01 -0.101330D+01  0.105773D+01
      2  -0.109077D+01  0.110565D+01 -0.101330D+01  0.298440D+01 -0.175513D+01
      3   0.110565D+01 -0.150274D+01  0.105773D+01 -0.175513D+01  0.180411D+01
               106           107           108           109           110 
      1  -0.187043D+01  0.176190D+01 -0.184889D+01  0.210724D+01  0.167796D+01
      2   0.176190D+01 -0.332040D+01  0.245277D+01  0.167796D+01  0.355780D+01
      3  -0.184889D+01  0.245277D+01 -0.406357D+01  0.122729D+01  0.159440D+01
               111           112           113           114           115 
      1   0.122729D+01  0.142511D+01  0.173879D+01  0.960312D+00  0.123290D+01
      2   0.159440D+01  0.173879D+01  0.476074D+01  0.176488D+01  0.992097D+00
      3   0.135967D+01  0.960312D+00  0.176488D+01  0.175388D+01  0.579794D+00
               116           117           118           119           120 
      1   0.992097D+00  0.579794D+00 -0.543082D+01  0.590688D+00  0.290951D+01
      2   0.219288D+01  0.202226D+01  0.590688D+00 -0.968039D+00  0.122662D-01
      3   0.202226D+01  0.200598D+01  0.290951D+01  0.122662D-01 -0.277597D+01
               121           122           123           124           125 
      1  -0.845032D+00 -0.333550D+00  0.700851D+00  0.318130D+01 -0.655101D-01
      2  -0.333550D+00 -0.389973D+00  0.417801D+00 -0.655101D-01  0.974462D+00
      3   0.700851D+00  0.417801D+00 -0.418963D+00 -0.273113D+01  0.593075D+00
               126           127           128           129           130 
      1  -0.273113D+01  0.241103D+01 -0.210649D+01  0.452999D+00 -0.237172D+01
      2   0.593075D+00 -0.210649D+01  0.285176D+01  0.138463D+00  0.293921D+01
      3   0.324775D+01  0.452999D+00  0.138463D+00  0.520606D+00  0.697910D-01
               131           132           133           134           135 
      1   0.293921D+01  0.697910D-01 -0.437948D+00  0.788351D+00  0.180525D+00
      2  -0.659912D+01  0.369645D+00  0.788351D+00 -0.120525D+01 -0.540231D+00
      3   0.369645D+00 -0.120949D+01  0.180525D+00 -0.540231D+00 -0.497004D+00
               136           137           138           139           140 
      1  -0.316234D+01 -0.916007D+00  0.251927D+01 -0.644813D+00 -0.445905D+00
      2  -0.916007D+00 -0.122668D+01  0.148854D+01 -0.445905D+00 -0.131919D+01
      3   0.251927D+01  0.148854D+01 -0.403306D+01  0.842154D+00  0.112888D+01
               141           142           143           144           145 
      1   0.842154D+00  0.205364D+01  0.875295D+00 -0.218883D+01  0.380359D+01
      2   0.112888D+01  0.875295D+00  0.110332D+01 -0.113729D+01  0.121418D+01
      3  -0.882328D+00 -0.218883D+01 -0.113729D+01  0.476602D+01  0.255553D+01
               146           147           148           149           150 
      1   0.121418D+01  0.255553D+01  0.222841D+01  0.167407D+01  0.177705D+01
      2   0.170900D+01  0.107298D+01  0.167407D+01  0.187237D+01  0.122871D+01
      3   0.107298D+01  0.228679D+01  0.177705D+01  0.122871D+01  0.265017D+01
               151           152           153 
      1   0.197178D+01  0.995962D+00  0.164161D+01
      2   0.995962D+00  0.922755D+00  0.119589D+01
      3   0.164161D+01  0.119589D+01  0.304724D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.917319D-02  0.130109D-02  0.600779D-02  0.118342D-01 -0.132736D-01
      2  -0.837943D-02  0.143767D-02  0.478289D+01  0.155882D-02  0.463264D-03
      3  -0.326956D-01 -0.478079D+01 -0.131780D-01  0.476823D+01 -0.224391D-01
                 6             7             8             9            10 
      1  -0.478689D+01  0.174401D-01  0.476472D+01 -0.267567D-02  0.106932D+01
      2   0.479712D-02 -0.475990D+01 -0.109705D-01  0.101903D-01 -0.615645D+01
      3  -0.120522D-01  0.466324D-02 -0.773534D-02 -0.630238D-02 -0.809234D+00
                11            12            13            14            15 
      1   0.611279D+01  0.334260D+01  0.755249D+01 -0.173539D+01 -0.390960D+01
      2  -0.559990D+01  0.314577D+01 -0.523063D+01 -0.245103D+01 -0.714923D+01
      3   0.378313D+01  0.453658D+01  0.909507D+01 -0.296747D+01 -0.510889D+01
                16            17            18            19            20 
      1   0.382594D+01  0.887499D+00  0.685236D+00 -0.294358D+01 -0.180440D+01
      2  -0.324536D+01 -0.757548D+01  0.857342D+01  0.574057D+01  0.555711D+01
      3   0.410843D+01 -0.360746D+01  0.375862D+01 -0.364847D+01 -0.672487D+01
                21            22            23            24            25 
      1   0.666578D+01 -0.273014D+01 -0.254322D+01 -0.507347D+01  0.786185D+01
      2  -0.334704D+01  0.468091D+01 -0.390448D+01 -0.133696D+01 -0.866600D+01
      3  -0.261345D+01 -0.780179D+00  0.897422D+01  0.663742D+01 -0.173135D+01
                26            27            28            29            30 
      1   0.238529D+00  0.549156D+01  0.405594D+01  0.420163D+01 -0.646969D+01
      2  -0.257868D+01 -0.189667D+01  0.109333D+01  0.415218D+01  0.529704D+00
      3   0.566464D+01 -0.528343D+01  0.389223D+01 -0.784876D+01 -0.821094D+01
                31            32            33            34            35 
      1   0.457267D+01 -0.207780D+01  0.299368D+01 -0.766511D+01  0.877966D+01
      2   0.349895D+01  0.684579D+00  0.418062D+01 -0.380254D+01  0.536743D+01
      3  -0.154747D+01 -0.622830D+01 -0.526307D+01 -0.745214D+01 -0.485633D+01
                36            37            38            39            40 
      1  -0.201792D+01 -0.217112D+01 -0.848754D+01 -0.354678D+01 -0.937336D+01
      2  -0.180052D+01 -0.695327D+00 -0.412154D+01  0.105500D+02 -0.300424D+01
      3   0.230253D+01  0.585751D+00 -0.171591D+00  0.629538D+01  0.424826D+01
                41            42            43            44            45 
      1   0.641770D+01 -0.490209D+01 -0.399284D+01  0.124378D+01 -0.421487D+01
      2   0.566223D+01  0.432124D+01  0.455098D+01  0.478163D+01 -0.490254D+01
      3   0.205843D+00  0.370989D+01  0.512793D+01  0.277516D+01 -0.791485D+00
                46            47            48            49            50 
      1  -0.300245D+00  0.913717D+00  0.132674D+00 -0.346270D+00 -0.214248D+01
      2  -0.269385D+01  0.161773D+01 -0.217082D+01  0.264339D+01 -0.230742D+01
      3  -0.136582D+01 -0.465056D-01 -0.132272D+01  0.143927D+01 -0.193322D+01
                51            52            53            54            55 
      1  -0.152921D+00 -0.377644D+00  0.395785D+01  0.711816D+00  0.239482D+01
      2   0.419986D+01 -0.494893D+01  0.398466D+01 -0.935955D+01  0.240699D+01
      3   0.264358D+01 -0.215420D+01  0.275083D+01 -0.361392D+01  0.257074D+01
                56            57            58            59            60 
      1  -0.358273D+01 -0.734232D+00 -0.328262D+01  0.653711D+01 -0.152068D-01
      2  -0.554071D+00  0.161607D+01 -0.198184D+01  0.864886D+00 -0.192608D+01
      3  -0.541264D+01 -0.183378D+01 -0.221613D+01  0.850591D+01  0.242407D+01
                61            62            63            64            65 
      1  -0.146762D+01  0.268731D+01  0.956953D+00 -0.302436D+01 -0.279291D+01
      2  -0.820842D+00  0.195854D-01 -0.149679D+01  0.590285D+01  0.384947D+01
      3  -0.134470D+01  0.252003D+01  0.145421D+01 -0.406638D+00 -0.455570D+01
                66            67            68            69            70 
      1  -0.235759D+01 -0.307242D+01 -0.294652D+01 -0.290374D+01 -0.154518D+01
      2   0.444428D+01  0.394291D+01  0.356633D+01  0.400910D+01  0.207656D+01
      3  -0.832382D+00 -0.719827D+00 -0.407053D+01 -0.479900D+00 -0.129550D+00
                71            72            73            74            75 
      1  -0.763151D+00 -0.218129D+01 -0.195759D+01  0.188087D+01 -0.311097D+01
      2   0.264753D+01  0.312641D+01 -0.750714D+00 -0.562231D+00  0.273835D+01
      3  -0.199306D+01 -0.111062D+01  0.233135D+01 -0.198031D+01  0.251471D+01
                76            77            78            79            80 
      1   0.131389D+01 -0.304386D+01  0.228421D+01 -0.341896D+01  0.520547D+01
      2   0.580231D+00  0.118303D+01 -0.202154D+01 -0.109141D+01 -0.865655D+00
      3  -0.427793D+00  0.198922D+01 -0.249310D+01  0.253068D+01 -0.365388D+01
                81            82            83            84            85 
      1  -0.704488D+01  0.370630D+01  0.116318D+01 -0.382256D+01  0.167633D+01
      2   0.580260D+01 -0.604535D+01 -0.234988D+01  0.665117D+01 -0.195688D+01
      3   0.428794D+01  0.494712D+01 -0.195073D+01 -0.134826D+01  0.138871D+01
                86            87            88            89            90 
      1   0.121983D+01 -0.171856D+01 -0.306706D+01  0.178488D-01  0.321237D+01
      2  -0.125714D+01  0.160510D+01  0.334137D+01  0.141630D+01 -0.526035D+01
      3  -0.101096D+01 -0.429940D+00 -0.252438D+01  0.132137D+01  0.165569D+01
                91            92            93            94            95 
      1   0.811153D+00 -0.139098D+01  0.100274D+01 -0.536774D+00  0.418692D+01
      2   0.163751D+01 -0.200073D+01  0.165656D+00 -0.278342D+01  0.348539D+01
      3  -0.387298D+01  0.321424D+01  0.118876D+01  0.628455D+01 -0.902022D+01
                96            97            98            99           100 
      1  -0.276486D+01 -0.467464D+00  0.108857D+01 -0.110367D+01  0.190452D+01
      2   0.169391D+01 -0.121132D+01  0.179590D+01  0.127382D+01  0.861420D+00
      3  -0.294516D+01  0.157859D+01 -0.268107D+01 -0.133680D+01 -0.218897D+01
               101           102           103           104           105 
      1  -0.170403D+01  0.372451D+01 -0.223450D+01  0.303126D+01 -0.537720D+01
      2  -0.147081D+01  0.300822D+01 -0.756959D+00  0.196607D+01 -0.280322D+01
      3  -0.202875D+00 -0.421300D+00  0.238852D+01  0.133972D+01  0.278206D+00
               106           107           108           109           110 
      1   0.328222D+01 -0.244657D+01  0.875719D+01 -0.119752D+01  0.389436D-02
      2   0.127563D+00 -0.248795D+01  0.532309D+01 -0.286280D+01 -0.186345D+01
      3  -0.248781D+01 -0.103068D+01 -0.794869D+00  0.607407D+01  0.336847D+01
               111           112           113           114           115 
      1  -0.248974D+01 -0.857168D+00  0.132929D+00 -0.391008D+01 -0.492211D+00
      2  -0.202045D+00 -0.246075D+01 -0.233761D+01 -0.130692D+01 -0.246118D+01
      3   0.305866D+01  0.609272D+01  0.572316D+01  0.319131D+01  0.399002D+01
               116           117           118           119           120 
      1  -0.535667D+00 -0.273376D+01 -0.424901D+01 -0.199775D+01  0.451740D+01
      2  -0.191221D+01 -0.120799D+01  0.111741D+01 -0.345243D+00  0.334520D+01
      3   0.292303D+01  0.241056D+01 -0.748835D+01 -0.276068D+01  0.458754D+01
               121           122           123           124           125 
      1  -0.938503D+00 -0.123440D+01 -0.680956D-01  0.398827D+01  0.173637D+01
      2   0.101496D+00 -0.226821D+00  0.350966D+00 -0.881921D+00 -0.373054D+00
      3  -0.420465D+00 -0.140203D+01  0.116571D+01  0.505217D+01  0.237314D+01
               126           127           128           129           130 
      1  -0.438180D+01 -0.261292D+01  0.464005D+01  0.193110D+01  0.442934D+01
      2  -0.261225D+01 -0.287463D+01  0.306676D+01  0.131684D+01  0.359270D+01
      3  -0.362291D+01 -0.152114D+01 -0.167861D+01 -0.463494D+00  0.253649D+01
               131           132           133           134           135 
      1  -0.922430D+01 -0.373808D+01  0.100128D+01 -0.108743D+01 -0.191736D+01
      2  -0.424850D+01 -0.233154D+01 -0.189698D+00 -0.124765D+01 -0.103606D+01
      3   0.294556D+01 -0.188681D+00  0.336266D+00  0.399880D+00  0.251683D+00
               136           137           138           139           140 
      1   0.685731D+00 -0.200935D+01 -0.145788D+01  0.147569D+00 -0.136891D+01
      2   0.801621D+01  0.192561D+01 -0.386511D+01  0.214647D+01  0.115011D+01
      3   0.377488D+01 -0.507450D+00 -0.261138D+01  0.173303D+01  0.631015D+00
               141           142           143           144           145 
      1  -0.261650D+00 -0.457017D+00  0.269736D+01  0.236386D+01  0.381937D+01
      2  -0.175963D+01 -0.696259D+01 -0.207312D+01  0.524253D+01 -0.468586D+01
      3  -0.128996D+01 -0.296769D+01 -0.512045D+00  0.253001D+01 -0.284274D+01
               146           147           148           149           150 
      1   0.485226D+01  0.266666D+01  0.366468D+01  0.480325D+01  0.182257D+01
      2  -0.130129D+01 -0.227127D+00 -0.301387D+01 -0.183009D+01  0.269523D+00
      3  -0.421868D+01 -0.251169D+01 -0.138485D+01 -0.365890D+01 -0.183675D+01
               151           152           153 
      1   0.297500D+01  0.400218D+01  0.342021D+01
      2  -0.353294D+01 -0.888864D+00  0.217987D+00
      3  -0.193694D+01 -0.238583D+01 -0.209090D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.438188D+01 -0.294644D+01  0.268766D+01 -0.298411D+01 -0.172399D+01
      2  -0.179985D+01  0.315167D+01 -0.132473D+01  0.317182D+01  0.156946D+01
      3  -0.258203D+01 -0.205229D+00 -0.136292D+01 -0.187711D+00  0.154530D+00
      4  -0.305440D+01 -0.245498D+01 -0.884255D+00 -0.248587D+01  0.320248D+01
      5   0.277115D+01 -0.845945D+00 -0.325712D+01 -0.851423D+00 -0.129373D+01
      6  -0.881899D+00 -0.126551D+01 -0.291649D+00 -0.129688D+01 -0.376394D+01
                 6             7             8             9            10 
      1  -0.872798D+00  0.275308D+01 -0.833639D+00 -0.256209D+01 -0.513902D+01
      2  -0.374448D+01 -0.125999D+01 -0.379771D+01  0.194142D+00 -0.391679D+01
      3   0.461727D+01 -0.149309D+01  0.463135D+01  0.236795D+01  0.905581D+01
      4  -0.131400D+01 -0.864436D+00 -0.121816D+01 -0.157804D+00 -0.131924D+01
      5  -0.161724D+00 -0.331002D+01 -0.157044D+00 -0.144600D+01 -0.593268D+01
      6  -0.575262D+00 -0.154486D+00 -0.551552D+00  0.460663D+01 -0.404107D+01
                11            12            13            14            15 
      1  -0.430819D+01 -0.178483D+01 -0.433943D+01 -0.811484D+01 -0.138777D+02
      2  -0.605177D+01  0.367551D+01 -0.513545D+01  0.498513D+01  0.155455D+01
      3   0.103600D+02 -0.189068D+01  0.947488D+01  0.312971D+01  0.123231D+02
      4  -0.121293D+02 -0.974981D+01 -0.134943D+02  0.251019D+01  0.172641D+01
      5  -0.844319D+01  0.620138D+01 -0.941139D+01  0.667235D+01  0.305647D+01
      6   0.391032D+01  0.868519D+01  0.476065D+01 -0.385177D+01 -0.696228D+01
                16            17            18            19            20 
      1  -0.290989D+01 -0.140323D+02  0.134932D+02 -0.821437D+01 -0.912708D+01
      2   0.310295D+01  0.214270D+01 -0.143807D+01  0.245258D+01  0.676020D+01
      3  -0.193061D+00  0.118896D+02 -0.120552D+02  0.576179D+01  0.236688D+01
      4  -0.110040D+02  0.177314D+00 -0.976764D+00 -0.361881D+01  0.177731D+01
      5   0.630659D+01  0.224510D+01 -0.134277D+01  0.539638D+01  0.709137D+01
      6   0.690900D+01 -0.664054D+01  0.773261D+01  0.648316D+01  0.110026D+02
                21            22            23            24            25 
      1   0.516048D+01 -0.847976D+01  0.135600D+02  0.891258D+01  0.630528D+01
      2   0.861234D+01  0.473130D+01 -0.137124D+02 -0.110915D+02  0.755708D+01
      3  -0.137728D+02  0.374846D+01  0.152341D+00  0.217888D+01 -0.138624D+02
      4   0.107562D+02  0.270258D+01  0.362308D+01  0.467226D+01  0.117743D+02
      5  -0.573982D+01  0.754210D+01  0.401391D+01  0.834359D+01 -0.716958D+01
      6   0.383424D+00  0.950178D+01 -0.717251D+01 -0.143238D+01 -0.373014D-02
                26            27            28            29            30 
      1   0.955322D+01 -0.521632D+01 -0.303956D+01  0.723188D+01  0.108382D+02
      2  -0.105026D+02  0.113125D+02  0.484835D+01 -0.948869D+01 -0.166387D+02
      3   0.949392D+00 -0.609622D+01 -0.180879D+01  0.225682D+01  0.580052D+01
      4   0.506205D+01  0.550340D+00  0.204366D+01 -0.674976D+00 -0.214250D+01
      5   0.655132D+01 -0.894987D+01  0.650628D+01  0.286988D+01 -0.102352D+02
      6  -0.756562D+00  0.111430D+01 -0.530317D+01 -0.132986D+02  0.402634D+01
                31            32            33            34            35 
      1   0.661562D+01  0.501791D+01  0.573412D+01  0.110946D+02  0.465353D+01
      2  -0.828439D+01 -0.171962D+01 -0.401738D+00 -0.163303D+02 -0.232287D-01
      3   0.166877D+01 -0.329828D+01 -0.533239D+01  0.523569D+01 -0.463030D+01
      4   0.232190D+00 -0.105525D+02 -0.112370D+02 -0.116897D+01 -0.122239D+02
      5   0.476838D+01 -0.668917D+01  0.637384D+00 -0.104702D+02  0.218164D+01
      6  -0.121034D+02  0.241228D+01 -0.840542D+01  0.503508D+01 -0.942349D+01
                36            37            38            39            40 
      1  -0.213659D+01  0.291726D+01  0.172505D+01 -0.100932D+02  0.172127D+01
      2  -0.263835D+01  0.398660D+01  0.136872D+02  0.239818D+01  0.135029D+02
      3   0.477494D+01 -0.690385D+01 -0.154122D+02  0.769499D+01 -0.152241D+02
      4   0.793855D+01 -0.153356D+01 -0.758716D+01 -0.640170D-01 -0.806132D+01
      5  -0.219015D-01 -0.173996D+01 -0.277082D+01 -0.101315D+02 -0.409427D+01
      6   0.327979D+01  0.165158D+01 -0.344258D+01 -0.134720D+02 -0.409129D+01
                41            42            43            44            45 
      1  -0.318248D+01 -0.202496D+01 -0.104614D+02 -0.148590D+01 -0.186832D+00
      2  -0.712094D+01  0.428037D+01  0.371044D+01  0.292250D+01  0.283437D+01
      3   0.103034D+02 -0.225541D+01  0.675095D+01 -0.143660D+01 -0.264754D+01
      4   0.922152D+01  0.293418D+01 -0.836112D+00  0.499377D+01 -0.789317D+01
      5  -0.589757D+01 -0.123920D+02 -0.826060D+01 -0.113489D+02  0.816314D+01
      6   0.307052D+01  0.112182D+01 -0.123189D+02  0.134335D+01 -0.531383D+01
                46            47            48            49            50 
      1  -0.167372D+01  0.327070D+01 -0.566893D+01  0.284460D+01 -0.586854D+01
      2  -0.370016D+00 -0.102635D+01 -0.168809D+01 -0.849536D+00  0.235213D+01
      3   0.204373D+01 -0.224435D+01  0.735702D+01 -0.199506D+01  0.351641D+01
      4  -0.822170D+00  0.213555D+01 -0.155874D+00  0.365468D+01  0.225989D+01
      5   0.307898D+01 -0.681365D+00  0.274191D+01 -0.175228D+01 -0.259626D+01
      6  -0.182965D+01  0.299707D+01 -0.394373D+01  0.304556D+00 -0.867020D+01
                51            52            53            54            55 
      1   0.935569D+01 -0.414792D+01  0.892637D+01 -0.196036D+02  0.125944D+02
      2   0.257338D+00  0.103387D+01 -0.306134D+00 -0.101771D+02 -0.712340D+01
      3  -0.961303D+01  0.311405D+01 -0.862024D+01  0.297807D+02 -0.547096D+01
      4  -0.277575D+01 -0.845556D+00 -0.338347D+01  0.347928D+01 -0.774584D+01
      5   0.360103D+01  0.556896D+01  0.294929D+01 -0.892504D+01 -0.932441D+01
      6   0.114876D+02 -0.136225D+01  0.114547D+02 -0.151911D+02  0.469393D+01
                56            57            58            59            60 
      1  -0.558831D+01 -0.284574D+01 -0.893546D+01  0.286625D+01  0.133172D+01
      2   0.422066D+01  0.385819D+01  0.592295D+01  0.942525D+00 -0.394784D+01
      3   0.136766D+01 -0.101245D+01  0.301251D+01 -0.380877D+01  0.261613D+01
      4   0.103207D+02  0.398757D+01  0.118098D+02 -0.153615D+02 -0.488473D+01
      5   0.661366D+01  0.689745D+01  0.100502D+02 -0.750656D+01 -0.874387D+01
      6  -0.518387D+01 -0.341597D+01 -0.618772D+01  0.117931D+02  0.728282D+01
                61            62            63            64            65 
      1  -0.190847D+01  0.157632D+01 -0.123417D+01  0.217264D+02  0.874411D+01
      2   0.348306D+01 -0.260907D+01 -0.361907D+01 -0.599025D+01  0.102851D+01
      3  -0.157459D+01  0.103275D+01  0.485324D+01 -0.157361D+02 -0.977261D+01
      4   0.351257D+01 -0.344125D+01 -0.345100D+01  0.146044D+02  0.133282D+02
      5   0.650771D+01 -0.532230D+01 -0.639255D+01 -0.182773D+01 -0.591056D-01
      6  -0.362899D+01  0.621081D+01  0.299299D+01 -0.153433D+01 -0.275625D+01
                66            67            68            69            70 
      1   0.387274D+01  0.105804D+02  0.485158D+01  0.297087D+01  0.802468D+01
      2  -0.147705D+00  0.475913D+00  0.567615D+01  0.173803D+01 -0.209909D+01
      3  -0.372504D+01 -0.110563D+02 -0.105277D+02 -0.470890D+01 -0.592559D+01
      4   0.333343D+01  0.145060D+02  0.136753D+02  0.221031D+01  0.619144D+01
      5   0.463342D+01 -0.917494D+00 -0.991603D+00  0.369692D+01  0.322529D+01
      6   0.646363D+00 -0.254342D+01 -0.183293D+01  0.346320D+01  0.517994D+00
                71            72            73            74            75 
      1   0.322752D+01  0.132628D+01  0.710385D+01 -0.528529D+00  0.312233D+01
      2   0.217593D+01 -0.918876D-01 -0.787083D+01  0.155318D+01 -0.843761D+01
      3  -0.540345D+01 -0.123439D+01  0.766977D+00 -0.102465D+01  0.531528D+01
      4   0.539354D+01  0.352569D+01  0.133291D+01  0.279266D+01 -0.517115D+00
      5   0.247613D+01  0.456811D+01  0.943238D+01 -0.272064D+01  0.123156D+02
      6   0.217560D+01  0.119289D+01  0.266291D+00  0.413798D+00  0.201049D+01
                76            77            78            79            80 
      1  -0.257379D+01 -0.146526D+01 -0.394796D+00  0.391525D+01 -0.155805D+01
      2   0.340918D+01 -0.934352D+00  0.705012D+01 -0.986123D+01  0.558107D+01
      3  -0.835385D+00  0.239961D+01 -0.665532D+01  0.594598D+01 -0.402302D+01
      4   0.188460D+01 -0.371466D+01  0.254414D+01  0.412665D+00  0.372146D+01
      5  -0.575395D+01  0.303510D+01 -0.685150D+01  0.141930D+02 -0.314939D+01
      6   0.444146D+00 -0.255948D+01  0.321537D+01  0.220542D+01  0.501097D+01
                81            82            83            84            85 
      1  -0.327381D+01  0.252075D+02  0.550460D+01 -0.765804D+01  0.413873D+01
      2  -0.184145D+02 -0.789133D+01  0.149366D+01  0.774402D+00  0.154765D+01
      3   0.216884D+02 -0.173161D+02 -0.699826D+01  0.688364D+01 -0.568637D+01
      4  -0.409525D-02  0.167420D+02  0.104329D+02 -0.574213D+01  0.885528D+01
      5   0.205315D+02 -0.395022D+01 -0.137844D+01  0.754364D+01 -0.118445D+01
      6   0.421479D+01 -0.381090D+01 -0.194208D+01  0.442758D+01 -0.232694D+01
                86            87            88            89            90 
      1   0.773492D+00 -0.175699D+01 -0.114738D+02 -0.194550D+01  0.479732D+01
      2   0.426976D+01 -0.159038D+00  0.257618D+01 -0.172424D+01 -0.309465D+01
      3  -0.504325D+01  0.191603D+01  0.889762D+01  0.366974D+01 -0.170267D+01
      4   0.621214D+01 -0.383888D+01 -0.914039D+01 -0.695536D+01  0.440620D+01
      5  -0.176806D+01  0.612659D+00  0.702007D+01  0.139702D+01 -0.676716D+01
      6  -0.359313D+00  0.299253D+01  0.412907D+01  0.294929D+01 -0.569066D+01
                91            92            93            94            95 
      1  -0.188168D+01  0.811994D+01  0.246163D+01  0.614121D+01 -0.214046D+02
      2   0.360189D+01 -0.102912D+02 -0.198938D+01 -0.581772D+01  0.314961D+02
      3  -0.172021D+01  0.217127D+01 -0.472246D+00 -0.323491D+00 -0.100916D+02
      4  -0.401999D+01  0.371274D+01  0.123465D+00  0.575297D+01  0.408915D+01
      5  -0.313202D+01  0.155849D+01  0.191486D+01  0.234520D+01 -0.336096D+00
      6   0.207002D+01 -0.629336D+01 -0.464048D+01 -0.307422D+01  0.171382D+02
                96            97            98            99           100 
      1  -0.780679D+01  0.106444D+01 -0.687429D+01 -0.473971D+01  0.444669D+01
      2   0.670564D+01 -0.159779D+01  0.581461D+01  0.190671D+01  0.214805D+00
      3   0.110115D+01  0.533347D+00  0.105968D+01  0.283300D+01 -0.466150D+01
      4   0.109803D+01  0.149127D+00  0.957086D+00  0.242435D+00 -0.840210D+01
      5   0.564749D+00  0.283935D+01 -0.169154D+00  0.140506D+01  0.330045D+01
      6   0.108759D+02 -0.180840D+01  0.971742D+01  0.646292D+01 -0.347327D+01
               101           102           103           104           105 
      1  -0.154507D+01  0.968193D+00 -0.116417D+01 -0.528170D+01  0.166607D+01
      2  -0.318530D+01  0.238772D+01 -0.325236D+01  0.130351D+02 -0.615895D+01
      3   0.473037D+01 -0.335592D+01  0.441653D+01 -0.775336D+01  0.449288D+01
      4   0.832362D+01 -0.522499D+01  0.769111D+01 -0.858702D+01  0.665997D+01
      5  -0.294723D+01  0.654281D+01 -0.251212D+01  0.405803D+01 -0.361826D+01
      6   0.443729D+01 -0.512858D+01  0.454978D+01 -0.754318D+01  0.950566D+01
               106           107           108           109           110 
      1   0.218015D+01  0.368801D+01 -0.259926D+01 -0.236343D+01 -0.861121D+01
      2   0.236217D+01 -0.101765D+02  0.269585D+01  0.393159D+01  0.130424D+02
      3  -0.454232D+01  0.648849D+01 -0.965890D-01 -0.156816D+01 -0.443121D+01
      4  -0.853967D+01  0.994626D+01 -0.755713D+01  0.898466D+01  0.695068D+01
      5   0.703394D+01 -0.469360D+01  0.920108D+01  0.302644D+01  0.171271D+01
      6  -0.590293D+01  0.110748D+02 -0.153622D+02  0.506633D+01  0.834615D+01
               111           112           113           114           115 
      1  -0.538311D+01 -0.591751D+01 -0.152983D+02 -0.752482D+01 -0.440230D+01
      2   0.404060D+01  0.777592D+01  0.230445D+02  0.716375D+01  0.357740D+01
      3   0.134251D+01 -0.185841D+01 -0.774624D+01  0.361070D+00  0.824907D+00
      4   0.369653D+01  0.702866D+01  0.486009D+01  0.288679D+01  0.405617D+01
      5   0.352515D+01  0.137936D+01  0.151377D+01  0.563225D-01  0.409156D+01
      6   0.669799D+01  0.544399D+01  0.123290D+02  0.106343D+02  0.358060D+01
               116           117           118           119           120 
      1  -0.837879D+01 -0.675547D+01  0.181041D+02  0.509997D+00 -0.702000D+01
      2   0.834888D+01  0.375780D+01 -0.131163D+02 -0.253842D+01  0.949151D+01
      3   0.299070D-01  0.299767D+01 -0.498783D+01  0.202842D+01 -0.247151D+01
      4   0.263897D+01  0.147142D+01 -0.114615D+02  0.626538D+01  0.603595D+01
      5   0.429793D+00  0.115979D+01 -0.153982D+02  0.794746D+00  0.131782D+02
      6   0.114881D+02  0.954701D+01  0.638077D+01 -0.185083D+01 -0.664929D+01
               121           122           123           124           125 
      1   0.280438D+01  0.763963D+00 -0.124774D+01 -0.788346D+01 -0.164972D+01
      2  -0.302052D+01 -0.847524D+00  0.298092D+01  0.969317D+01  0.292168D+01
      3   0.216137D+00  0.835619D-01 -0.173318D+01 -0.180970D+01 -0.127195D+01
      4   0.316135D+01  0.108776D+01 -0.103831D+01  0.699335D+01 -0.272200D+01
      5  -0.196613D+01 -0.175166D+01  0.165567D+01  0.132528D+02 -0.119833D+01
      6  -0.634745D+00 -0.155712D+00  0.269867D+01 -0.595704D+01  0.501673D+01
               126           127           128           129           130 
      1   0.183949D+01  0.483846D+01 -0.182219D+01 -0.290764D+00 -0.240704D+01
      2  -0.842086D+01  0.158044D+01 -0.717711D+01 -0.114541D+01 -0.687057D+01
      3   0.658137D+01 -0.641890D+01  0.899930D+01  0.143617D+01  0.927761D+01
      4  -0.571302D+01 -0.100341D+02  0.122664D+02 -0.326052D+00  0.128985D+02
      5  -0.126458D+02  0.457530D+01 -0.357643D+01  0.428548D+01 -0.466517D+01
      6   0.674596D+01 -0.383499D+01  0.603292D+01 -0.141478D+01  0.581043D+01
               131           132           133           134           135 
      1  -0.609992D+01  0.244381D+01 -0.108312D+01  0.389675D+00 -0.419723D+00
      2   0.226110D+02  0.137828D+01 -0.953368D+00  0.397746D+01  0.155493D+01
      3  -0.165110D+02 -0.382209D+01  0.203649D+01 -0.436713D+01 -0.113521D+01
      4  -0.174468D+02  0.475564D+00  0.230931D+01 -0.255592D+01 -0.156230D+01
      5   0.544503D+01 -0.227292D+01  0.237175D+01 -0.838455D+00 -0.128131D+01
      6  -0.127707D+02  0.625629D+01 -0.410098D+00  0.304001D+01  0.103857D+01
               136           137           138           139           140 
      1  -0.202876D+01 -0.360595D+01  0.906404D+01 -0.234392D+01 -0.346913D+01
      2  -0.413033D+01  0.498506D+00  0.549918D+01 -0.354098D+00  0.237439D+01
      3   0.615909D+01  0.310744D+01 -0.145632D+02  0.269801D+01  0.109474D+01
      4   0.629172D+01  0.427252D+01 -0.380118D+01  0.420124D+01  0.764001D+00
      5  -0.125217D+02 -0.271830D+01  0.106961D+02 -0.195537D+01 -0.194766D+01
      6  -0.494645D+01 -0.673234D+01  0.900396D+01 -0.359495D+01 -0.574853D+01
               141           142           143           144           145 
      1   0.455126D+01  0.650880D+01  0.490225D+01 -0.134397D+02  0.961834D+01
      2  -0.105241D+01  0.282671D+01 -0.670491D+00 -0.917065D+01 -0.117063D+02
      3  -0.349885D+01 -0.933551D+01 -0.423175D+01  0.226103D+02  0.208793D+01
      4  -0.215591D+01 -0.335093D+01 -0.181783D+01  0.379542D+01  0.201480D+01
      5   0.283562D+01  0.983237D+01  0.305937D+01 -0.836668D+01  0.157446D+02
      6   0.754064D+01  0.584193D+01  0.774831D+01 -0.106447D+02  0.304364D+01
               146           147           148           149           150 
      1   0.297987D+01  0.257609D+01  0.429735D+01  0.778810D+00 -0.146270D+01
      2  -0.567872D+01 -0.936937D+01 -0.694976D+01 -0.142807D+01 -0.654677D+01
      3   0.269885D+01  0.679328D+01  0.265241D+01  0.649262D+00  0.800948D+01
      4   0.521275D+01  0.679527D+00  0.461120D+01  0.415933D+01  0.204204D+01
      5   0.550534D+01  0.138497D+02  0.897883D+01  0.604017D+01  0.897982D+01
      6   0.562529D+01  0.307514D+01  0.504337D+01  0.768993D+01  0.526266D+01
               151           152           153 
      1   0.242069D+01 -0.161897D+00 -0.259716D+01
      2  -0.782463D+01 -0.407800D+01 -0.104992D+02
      3   0.540394D+01  0.423990D+01  0.130964D+02
      4   0.351129D+00  0.142741D+01  0.190597D+01
      5   0.119158D+02  0.558989D+01  0.111155D+02
      6   0.333011D+01  0.508708D+01  0.327873D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264102D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.649519D+02      0.962488D+01      0.107091D+02
   aniso      0.201108D-01      0.298011D-02      0.331582D-02
   xx         0.649487D+02      0.962440D+01      0.107086D+02
   yx         0.238794D-02      0.353856D-03      0.393718D-03
   yy         0.649450D+02      0.962386D+01      0.107080D+02
   zx         0.507750D-02      0.752408D-03      0.837167D-03
   zy         0.474135D-02      0.702595D-03      0.781743D-03
   zz         0.649621D+02      0.962639D+01      0.107108D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199269         -1.77261310          2.27711124
     6         -2.54545344          1.37771080          0.13617670
     6          0.13192761         -1.54554813         -2.44740821
     6          2.15152900          1.94045132          0.03412953
     1         -1.25041321         -3.17768910          2.29985279
     1          0.17452148         -0.71848910          4.05005427
     1          2.06294524         -2.78069275          2.22733012
     1         -4.11526103          0.03703403          0.11598679
     1         -2.78261766          2.65548456         -1.46793617
     1         -2.69011411          2.49703037          1.86485581
     1         -1.38323256         -2.94587508         -2.52154326
     1          1.93017178         -2.54907297         -2.59353807
     1         -0.04999629         -0.32654091         -4.10361464
     1          2.10266954          3.07012063          1.76144202
     1          2.01060400          3.23088350         -1.57120850
     1          3.99110565          1.00827626         -0.06164626

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.649519D+02      0.962488D+01      0.107091D+02
   aniso      0.201108D-01      0.298011D-02      0.331582D-02
   xx         0.649624D+02      0.962644D+01      0.107109D+02
   yx         0.154602D-02      0.229096D-03      0.254904D-03
   yy         0.649447D+02      0.962382D+01      0.107079D+02
   zx        -0.634892D-02     -0.940812D-03     -0.104680D-02
   zy        -0.236389D-02     -0.350292D-03     -0.389752D-03
   zz         0.649486D+02      0.962439D+01      0.107086D+02

 ----------------------------------------------------------------------
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 WHEN A MATHEMATICIAN ENGAGED IN INVESTIGATING
 PHYSICAL ACTIONS AND RESULTS HAS ARRIVED AT HIS
 CONCLUSIONS, MAY THEY NOT BE EXPRESSED IN COMMON
 LANGUAGE AS FULLY, CLEARLY, AND DEFINITELY AS IN
 MATHEMATICAL FORMULAE?
           - LETTER FROM M. FARADAY TO J.C. MAXWELL, 1857.
 Job cpu time:       0 days  0 hours 39 minutes 10.4 seconds.
 Elapsed time:       0 days  0 hours  4 minutes 54.7 seconds.
 File lengths (MBytes):  RWF=    100 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:54:40 2022.
